data_1zu1_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 1zu1 _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 ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.241 0 CA-C-O 122.113 0.84 . . . . 1.0 114.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.94 -39.87 72.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.21 1.404 . . . . 1.0 114.092 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.34 -44.03 97.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.322 0.649 . . . . 1.0 111.984 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.79 80.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.034 0.534 . . . . 1.0 111.458 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.29 0.495 . . . . 1.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.17 -43.15 99.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.966 0.803 . . . . 1.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 m -62.55 -44.32 96.63 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.858 -0.526 . . . . 1.0 111.347 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.44 -41.6 94.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.713 1.205 . . . . 1.0 111.748 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.9 -50.09 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.09 0.956 . . . . 1.0 110.045 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.85 -42.45 99.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.697 0.799 . . . . 1.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.73 -13.79 62.2 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.779 1.029 . . . . 1.0 113.779 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -133.06 37.01 3.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.342 1.457 . . . . 1.0 112.177 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -52.95 -19.5 2.65 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.574 1.694 . . . . 1.0 115.574 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -75.81 -21.09 57.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.681 1.593 . . . . 1.0 113.746 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.4 pt -130.93 -19.94 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.147 1.536 . . . . 1.0 115.147 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -123.12 149.6 44.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.567 1.547 . . . . 1.0 109.444 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -151.3 169.6 21.56 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.267 1.027 . . . . 1.0 111.633 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.38 -15.14 23.24 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.983 1.313 . . . . 1.0 114.187 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -143.2 10.47 1.71 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -162.26 142.81 10.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 119.921 -1.737 . . . . 1.0 112.693 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.05 114.67 24.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 1.0 108.542 173.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -73.79 -36.1 64.98 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.585 0.754 . . . . 1.0 112.964 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.1 t -55.66 -43.35 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.973 0.909 . . . . 1.0 111.142 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -97.05 2.67 51.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.289 1.436 . . . . 1.0 112.649 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 38.5 55.63 1.85 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.21 2.604 . . . . 1.0 112.601 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.54 143.32 43.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.791 1.236 . . . . 1.0 112.826 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.39 148.56 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.821 1.248 . . . . 1.0 109.561 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.0 mt -125.33 72.49 1.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.812 2.445 . . . . 1.0 108.414 -175.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -14.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 116.896 2.184 . . . . 1.0 116.896 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -152.68 158.57 42.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.07 1.348 . . . . 1.0 110.879 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -57.19 -35.66 69.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.112 0.965 . . . . 1.0 112.523 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -62.09 -39.67 93.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.834 1.197 . . . . 1.0 112.165 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -69.12 -41.21 77.67 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.674 -0.641 . . . . 1.0 110.41 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -59.96 -47.6 85.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.963 0.801 . . . . 1.0 111.121 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.38 -41.67 98.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.951 1.3 . . . . 1.0 111.459 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.17 71.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.618 0.645 . . . . 1.0 112.3 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.11 -51.31 67.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.703 0.683 . . . . 1.0 112.445 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -66.49 -19.25 65.74 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -100.21 -5.49 27.57 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.636 1.174 . . . . 1.0 112.565 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 t -67.26 142.75 56.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.46 1.104 . . . . 1.0 112.99 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.8 mmt-85 -65.01 -32.36 74.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.855 0.862 . . . . 1.0 111.234 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -65.3 -45.29 84.97 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.032 0.933 . . . . 1.0 110.96 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.015 0.926 . . . . 1.0 110.912 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.29 86.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.765 0.654 . . . . 1.0 112.765 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -63.92 -43.58 95.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.722 -0.611 . . . . 1.0 110.879 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -60.35 -43.81 96.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.689 0.796 . . . . 1.0 111.368 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 124.288 1.035 . . . . 1.0 110.782 175.689 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.19 1.182 . . . . 1.0 114.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -129.76 -23.05 2.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.738 1.384 . . . . 1.0 114.738 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.79 163.94 37.42 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.27 1.395 . . . . 1.0 114.501 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -136.22 108.15 9.56 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 125.204 1.402 . . . . 1.0 110.493 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.22 -19.46 25.85 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.144 2.562 . . . . 1.0 114.236 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.5 -41.58 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.272 0.942 . . . . 1.0 109.968 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 57.2 m -95.59 -16.7 21.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.957 1.303 . . . . 1.0 113.36 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.79 56.23 4.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.762 2.425 . . . . 1.0 111.346 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.8 mtm -135.13 167.19 21.43 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.572 1.549 . . . . 1.0 112.723 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.4 p -126.65 159.28 34.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.301 1.84 . . . . 1.0 111.262 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -131.11 144.96 51.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.356 1.462 . . . . 1.0 111.107 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.5 p -69.2 -39.64 78.51 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.302 1.223 . . . . 1.0 114.302 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.3 t -139.77 149.38 59.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.596 1.558 . . . . 1.0 111.959 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.39 -37.75 25.73 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 124.094 3.196 . . . . 1.0 114.856 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.29 -35.65 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 119.106 0.866 . . . . 1.0 112.039 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.08 -41.51 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.779 0.831 . . . . 1.0 109.689 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.72 91.01 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.188 0.595 . . . . 1.0 111.529 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.44 -43.29 93.16 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.542 -0.724 . . . . 1.0 110.609 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.4 m -63.45 -40.01 96.0 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.111 0.964 . . . . 1.0 111.802 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.44 -50.54 69.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.713 0.805 . . . . 1.0 111.683 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -61.17 -14.79 27.63 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.2 1.555 . . . . 1.0 115.2 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.74 1.53 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.933 1.293 . . . . 1.0 113.334 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.08 170.02 14.84 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.879 1.228 . . . . 1.0 114.635 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.62 -29.99 64.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.554 1.141 . . . . 1.0 113.943 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.5 m -53.21 -44.18 67.81 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.403 1.081 . . . . 1.0 111.889 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.49 -46.04 64.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.047 0.539 . . . . 1.0 111.545 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.86 -40.59 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.841 1.257 . . . . 1.0 112.462 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -57.95 -36.88 73.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.236 1.014 . . . . 1.0 111.103 174.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 . . . . . 0 CA--C 1.541 0.629 0 CA-C-O 118.09 -0.957 . . . . 1.0 112.724 176.346 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 112.773 -0.131 . . . . 1.0 112.773 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -56.07 -37.5 69.38 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.4 -44.89 95.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.339 0.655 . . . . 1.0 111.664 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.55 80.25 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.148 0.579 . . . . 1.0 111.332 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.78 -43.08 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.353 0.661 . . . . 1.0 110.68 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.93 -47.18 86.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.792 0.837 . . . . 1.0 111.353 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.6 m -63.97 -42.03 97.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.226 0.466 . . . . 1.0 111.643 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.97 -43.23 95.23 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.388 1.075 . . . . 1.0 111.375 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.13 -47.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.063 0.945 . . . . 1.0 110.007 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.33 -47.13 84.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.254 1.021 . . . . 1.0 112.496 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.14 -14.11 61.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -131.42 35.24 3.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.252 1.421 . . . . 1.0 112.622 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -53.43 -22.45 7.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.128 1.529 . . . . 1.0 115.128 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -74.01 -12.68 60.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.078 1.751 . . . . 1.0 113.936 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.33 -24.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.041 1.497 . . . . 1.0 115.041 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -120.18 150.74 40.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.989 1.316 . . . . 1.0 110.042 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.8 p -154.06 169.1 24.32 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.395 1.078 . . . . 1.0 112.022 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.09 -19.34 43.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.228 1.411 . . . . 1.0 114.085 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.6 p -134.68 3.08 3.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.893 1.812 . . . . 1.0 115.893 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -161.96 144.84 11.79 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 1.0 113.327 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.14 114.91 24.38 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.163 1.385 . . . . 1.0 109.115 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -78.78 -32.04 46.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.7 -32.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 118.996 0.816 . . . . 1.0 111.269 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -108.45 9.12 27.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.017 1.327 . . . . 1.0 112.568 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m 34.96 55.45 0.74 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.427 2.691 . . . . 1.0 113.804 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.09 144.76 43.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.364 1.066 . . . . 1.0 113.287 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 t -91.21 148.48 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.8 1.24 . . . . 1.0 109.228 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 mt -130.35 67.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.459 2.304 . . . . 1.0 108.574 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 pt -63.33 -9.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -137.64 150.13 47.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.265 1.426 . . . . 1.0 110.951 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.13 -37.95 75.6 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.675 -0.641 . . . . 1.0 112.268 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.2 p -60.07 -40.28 89.0 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.341 -0.849 . . . . 1.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.89 -45.09 87.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.086 0.554 . . . . 1.0 110.286 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -61.22 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.293 0.637 . . . . 1.0 111.448 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.45 -42.73 98.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.947 0.899 . . . . 1.0 111.877 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.71 -42.09 74.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.305 0.957 . . . . 1.0 112.176 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.92 -51.54 63.99 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.765 -0.584 . . . . 1.0 112.165 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -68.11 -17.9 64.5 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.162 1.171 . . . . 1.0 114.162 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.95 -8.32 28.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.485 1.114 . . . . 1.0 113.3 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -74.74 145.94 42.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.71 -27.87 69.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.519 1.127 . . . . 1.0 112.359 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -61.04 -43.03 99.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.766 0.826 . . . . 1.0 110.906 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -62.5 -46.2 89.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.885 0.874 . . . . 1.0 111.158 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.13 86.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.692 0.678 . . . . 1.0 112.427 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -63.59 -46.96 83.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.256 0.622 . . . . 1.0 111.331 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -62.88 -41.05 99.27 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.726 -0.609 . . . . 1.0 112.076 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 118.717 -0.658 . . . . 1.0 110.45 175.358 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 113.523 0.934 . . . . 1.0 113.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -103.73 -33.4 8.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.65 1.18 . . . . 1.0 113.7 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.6 p -150.51 171.37 17.17 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.911 1.819 . . . . 1.0 115.911 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.0 t -135.94 91.96 16.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.127 1.771 . . . . 1.0 108.987 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.46 -18.31 49.27 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.893 2.395 . . . . 1.0 113.653 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.79 -35.69 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.008 . . . . 1.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.31 -7.88 14.78 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.555 1.542 . . . . 1.0 113.645 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.5 t30 55.35 59.63 3.83 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.061 2.944 . . . . 1.0 112.428 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 63.5 mtm -134.31 166.67 22.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.523 1.529 . . . . 1.0 112.311 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -128.49 158.64 37.83 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.23 1.812 . . . . 1.0 111.977 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -131.19 147.01 52.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.774 1.229 . . . . 1.0 112.894 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -84.58 -10.97 56.89 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.177 1.391 . . . . 1.0 114.29 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -156.38 149.67 18.75 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 125.381 1.472 . . . . 1.0 111.589 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.45 -29.43 85.11 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.913 2.409 . . . . 1.0 112.244 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.46 -39.82 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.307 -0.871 . . . . 1.0 110.53 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.95 -42.25 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.887 0.875 . . . . 1.0 109.868 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.74 68.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.269 0.628 . . . . 1.0 111.955 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.76 -42.01 96.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.609 -0.682 . . . . 1.0 111.442 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 t -59.72 -40.6 88.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.983 0.913 . . . . 1.0 111.543 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -66.64 -50.37 63.19 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.605 -0.684 . . . . 1.0 111.487 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -57.32 -34.06 68.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.351 1.241 . . . . 1.0 114.351 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -87.22 -7.32 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.223 0.919 . . . . 1.0 113.422 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.9 154.59 34.05 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.46 1.029 . . . . 1.0 114.002 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.77 -32.74 70.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.845 0.858 . . . . 1.0 113.297 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.4 m -57.3 -42.12 81.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.203 1.001 . . . . 1.0 111.603 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -68.12 -43.72 77.73 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.125 0.57 . . . . 1.0 111.147 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.92 -42.89 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.418 1.087 . . . . 1.0 111.041 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.61 -38.24 86.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.731 0.812 . . . . 1.0 111.29 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 118.202 -0.904 . . . . 1.0 112.667 176.138 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 114.488 0.555 . . . . 1.0 114.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.66 -43.1 75.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.805 1.642 . . . . 1.0 112.688 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -64.45 -44.56 90.73 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.525 0.73 . . . . 1.0 111.899 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.17 90.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.981 0.512 . . . . 1.0 111.629 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.64 -43.0 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 118.469 0.577 . . . . 1.0 110.502 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.82 -47.41 84.91 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.509 -0.744 . . . . 1.0 111.546 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -65.14 -40.2 94.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.018 0.527 . . . . 1.0 111.983 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.33 -43.33 99.05 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.033 0.933 . . . . 1.0 111.573 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.28 -48.42 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 123.833 0.853 . . . . 1.0 109.637 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.81 -46.72 84.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.713 1.205 . . . . 1.0 113.127 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.78 -14.65 62.05 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -131.15 35.88 3.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.272 1.429 . . . . 1.0 112.402 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -53.19 -19.81 3.39 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.572 1.693 . . . . 1.0 115.572 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -76.03 -20.47 57.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.674 1.589 . . . . 1.0 113.734 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.6 pt -130.93 -19.41 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -123.58 144.47 49.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.55 1.54 . . . . 1.0 109.044 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -145.85 172.72 12.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.892 0.877 . . . . 1.0 112.169 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.96 -16.3 50.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.048 1.339 . . . . 1.0 113.592 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -137.48 2.35 2.46 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.642 1.719 . . . . 1.0 115.642 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -159.9 147.24 16.56 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.787 1.63 . . . . 1.0 113.35 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.2 t -117.24 114.4 23.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.802 1.241 . . . . 1.0 108.179 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.07 -34.58 64.07 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.615 0.766 . . . . 1.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.8 t -55.55 -48.3 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.388 1.075 . . . . 1.0 110.835 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -93.13 2.83 56.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.051 1.34 . . . . 1.0 112.606 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t 38.44 55.92 1.81 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.527 2.731 . . . . 1.0 112.597 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 143.92 42.6 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 1.0 112.835 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.89 147.12 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.735 1.214 . . . . 1.0 109.469 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -123.34 71.69 1.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.705 2.402 . . . . 1.0 108.591 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.25 -7.79 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 117.523 2.416 . . . . 1.0 117.523 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -155.74 156.45 34.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.241 1.416 . . . . 1.0 110.835 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -59.11 -36.05 74.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.699 0.8 . . . . 1.0 112.639 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.7 p -63.16 -40.42 97.49 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.411 1.005 . . . . 1.0 111.705 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -67.22 -42.41 84.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.326 0.651 . . . . 1.0 110.543 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -60.83 -47.5 86.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.766 0.712 . . . . 1.0 111.067 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.09 -43.5 98.69 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.323 1.049 . . . . 1.0 111.408 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.57 81.97 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.874 0.761 . . . . 1.0 112.047 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -63.12 -51.34 66.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.243 0.617 . . . . 1.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.16 -18.24 64.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.347 1.24 . . . . 1.0 114.347 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.42 -10.43 23.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.185 0.994 . . . . 1.0 112.877 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -67.39 143.03 56.52 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.668 1.187 . . . . 1.0 113.578 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -61.0 -28.03 68.74 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.472 1.109 . . . . 1.0 112.499 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.03 -42.46 97.07 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.192 0.997 . . . . 1.0 111.295 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -59.77 -43.28 94.42 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.966 0.906 . . . . 1.0 112.337 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.268 0.94 . . . . 1.0 112.194 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -64.31 -42.09 96.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.385 0.674 . . . . 1.0 111.34 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.89 -43.01 97.29 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.396 0.678 . . . . 1.0 111.656 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 1.0 110.3 175.431 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 121.605 3.928 . . . . 1.0 121.605 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -125.28 -14.08 6.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.615 2.766 . . . . 1.0 112.026 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 29.9 p -138.35 161.32 37.24 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.458 1.903 . . . . 1.0 111.017 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.8 t -144.98 89.51 6.49 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.131 1.372 . . . . 1.0 110.108 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.3 -19.7 43.63 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.575 2.183 . . . . 1.0 112.752 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.74 -27.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.455 1.502 . . . . 1.0 111.315 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -126.86 -5.5 6.27 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.835 1.654 . . . . 1.0 114.387 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.2 t30 56.13 56.85 5.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 129.248 3.019 . . . . 1.0 112.895 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.1 mtm -138.79 174.91 10.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.707 1.603 . . . . 1.0 112.615 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -132.06 162.88 29.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.778 1.631 . . . . 1.0 112.897 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -131.24 147.09 52.55 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.537 1.535 . . . . 1.0 112.51 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 p -79.35 -16.1 56.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.636 1.175 . . . . 1.0 113.838 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 t -159.0 149.02 15.25 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 125.631 1.572 . . . . 1.0 111.611 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -61.71 -22.35 74.19 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.901 2.401 . . . . 1.0 112.669 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.86 -39.81 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.325 -0.859 . . . . 1.0 109.973 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.33 -41.41 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.873 0.869 . . . . 1.0 109.954 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.17 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.487 0.715 . . . . 1.0 111.954 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.48 -43.05 88.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.846 0.858 . . . . 1.0 111.436 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -67.87 -37.06 81.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.134 0.574 . . . . 1.0 111.759 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.93 -42.54 97.32 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.473 -0.767 . . . . 1.0 112.37 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.64 -24.98 52.14 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.518 1.303 . . . . 1.0 114.518 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.47 3.17 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.758 1.223 . . . . 1.0 113.073 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.63 142.78 22.07 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.321 0.962 . . . . 1.0 110.911 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -51.49 -38.03 51.96 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.176 1.176 . . . . 1.0 114.176 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.6 m -57.5 -44.0 84.64 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.941 0.896 . . . . 1.0 111.731 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -70.1 -42.86 72.13 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.161 0.584 . . . . 1.0 111.153 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.67 -44.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.364 1.065 . . . . 1.0 111.532 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.15 -39.17 85.42 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.766 0.712 . . . . 1.0 111.208 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 118.099 -0.953 . . . . 1.0 113.271 177.488 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 CA-C-O 122.02 0.789 . . . . 1.0 114.69 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -57.64 -29.86 64.92 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.605 1.162 . . . . 1.0 114.027 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.96 -44.56 84.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.937 0.895 . . . . 1.0 112.083 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.5 82.03 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.708 -0.62 . . . . 1.0 110.951 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.1 -41.69 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.176 0.59 . . . . 1.0 110.451 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -60.21 -47.36 86.28 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.453 -0.779 . . . . 1.0 110.918 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -60.94 -44.34 97.38 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.833 0.453 . . . . 1.0 111.391 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.42 -45.02 95.1 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.909 1.284 . . . . 1.0 112.21 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.87 -45.93 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.045 0.938 . . . . 1.0 110.957 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -66.93 -30.64 70.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.517 1.127 . . . . 1.0 113.546 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.5 -14.36 46.22 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.863 0.865 . . . . 1.0 113.148 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -135.0 37.84 3.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.038 1.335 . . . . 1.0 112.698 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -57.87 -14.65 6.48 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.237 1.569 . . . . 1.0 115.237 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -76.01 -19.29 58.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.365 1.466 . . . . 1.0 113.027 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 pt -129.88 -19.03 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.479 1.511 . . . . 1.0 115.027 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -124.89 151.78 44.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.302 . . . . 1.0 110.093 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -155.08 170.16 22.43 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.168 0.987 . . . . 1.0 112.324 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.81 -20.44 50.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.072 1.349 . . . . 1.0 114.096 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -134.79 5.02 3.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -162.97 144.82 10.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.817 1.644 . . . . 1.0 113.331 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -117.17 117.08 28.61 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.259 1.423 . . . . 1.0 109.285 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -75.89 -37.59 58.68 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.629 0.974 . . . . 1.0 113.629 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.3 t -58.28 -37.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.849 0.749 . . . . 1.0 111.188 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.0 m -103.11 8.98 38.62 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.367 1.467 . . . . 1.0 112.346 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.6 p 32.35 54.38 0.34 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.129 2.971 . . . . 1.0 114.357 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.46 45.1 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.729 1.212 . . . . 1.0 113.373 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.85 149.17 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.186 1.395 . . . . 1.0 109.606 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.1 mt -125.46 74.19 1.37 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.28 2.232 . . . . 1.0 108.688 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 pt -54.82 -13.98 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 117.051 2.241 . . . . 1.0 117.051 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -154.46 158.11 39.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.46 1.504 . . . . 1.0 111.053 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.81 -37.79 71.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.653 0.781 . . . . 1.0 112.904 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.3 p -59.98 -37.62 80.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.522 1.056 . . . . 1.0 112.382 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -69.33 -44.3 71.96 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 1.0 109.802 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -60.3 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.408 0.683 . . . . 1.0 111.113 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.5 -42.97 99.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.033 0.933 . . . . 1.0 111.797 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.92 73.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.034 0.834 . . . . 1.0 112.388 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.99 -51.28 62.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.251 0.621 . . . . 1.0 112.204 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -66.3 -25.49 66.87 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.812 1.042 . . . . 1.0 113.812 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.36 -10.68 43.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -64.21 140.98 58.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.48 1.112 . . . . 1.0 113.815 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -62.86 -34.09 76.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.1 0.96 . . . . 1.0 111.384 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -64.26 -45.72 86.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.133 0.973 . . . . 1.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.0 -49.28 76.68 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.552 0.741 . . . . 1.0 110.546 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.63 87.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.919 0.487 . . . . 1.0 112.224 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.66 -47.1 86.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.558 0.743 . . . . 1.0 111.506 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.231 0.613 . . . . 1.0 111.989 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.939 0.896 . . . . 1.0 111.073 175.778 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.7 p . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 113.934 1.087 . . . . 1.0 113.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -132.27 -10.03 3.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.841 1.656 . . . . 1.0 114.572 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.83 152.27 40.04 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.215 1.406 . . . . 1.0 112.292 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 25.7 t -136.3 89.99 18.57 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 126.2 1.8 . . . . 1.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.86 -23.46 47.67 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.574 2.183 . . . . 1.0 112.71 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.21 -34.45 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.194 1.397 . . . . 1.0 111.251 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -118.82 -0.03 11.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.288 1.435 . . . . 1.0 114.107 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.309 0.9 OUTLIER 51.11 54.89 10.41 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 129.422 3.089 . . . . 1.0 114.092 -176.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.4 mtm -133.11 169.95 16.11 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.585 1.554 . . . . 1.0 112.659 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.9 p -131.75 159.52 38.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.969 1.708 . . . . 1.0 112.239 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.34 147.13 52.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.502 1.521 . . . . 1.0 112.599 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -77.85 -19.41 54.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.371 1.248 . . . . 1.0 114.371 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -160.23 158.51 26.04 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.887 1.675 . . . . 1.0 111.981 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.71 -30.12 91.35 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.458 2.772 . . . . 1.0 113.778 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.56 -38.09 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.487 -0.758 . . . . 1.0 110.637 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.13 -34.42 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.287 1.035 . . . . 1.0 110.765 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.06 72.81 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.395 -0.816 . . . . 1.0 109.584 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.06 -43.22 95.57 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.233 1.013 . . . . 1.0 112.467 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 p -60.1 -35.57 75.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.025 0.829 . . . . 1.0 112.181 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.98 -47.01 61.31 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.608 0.763 . . . . 1.0 111.058 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.61 -32.36 72.48 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.93 -4.77 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.481 1.037 . . . . 1.0 113.428 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.06 149.2 19.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.666 1.127 . . . . 1.0 113.354 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.47 -28.7 67.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.407 1.083 . . . . 1.0 113.882 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 m -54.44 -41.02 68.91 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.398 1.079 . . . . 1.0 112.07 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -69.0 -44.59 72.51 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.631 -0.668 . . . . 1.0 111.081 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.45 -37.9 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.723 1.209 . . . . 1.0 112.182 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -59.48 -40.93 88.57 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.281 -0.887 . . . . 1.0 110.449 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 118.219 -0.896 . . . . 1.0 112.037 175.549 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 112.792 -0.123 . . . . 1.0 112.792 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -55.98 -43.02 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.814 0.846 . . . . 1.0 112.911 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.76 -41.99 98.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.085 0.954 . . . . 1.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -43.76 77.97 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.057 0.543 . . . . 1.0 111.378 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.71 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.419 0.554 . . . . 1.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.11 -46.96 88.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.483 -0.761 . . . . 1.0 111.053 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.0 m -58.73 -44.04 90.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.139 0.576 . . . . 1.0 111.597 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.34 -41.45 93.62 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.86 1.264 . . . . 1.0 111.883 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.747 0.819 . . . . 1.0 109.888 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -45.67 82.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.598 1.159 . . . . 1.0 112.325 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.66 -14.42 62.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.093 1.146 . . . . 1.0 114.093 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -132.2 36.35 3.64 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.06 1.344 . . . . 1.0 112.68 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -54.42 -18.32 4.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -76.12 -15.4 60.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.852 1.661 . . . . 1.0 113.839 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.39 -21.57 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.443 1.497 . . . . 1.0 114.633 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -120.0 153.68 35.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.482 1.513 . . . . 1.0 110.313 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.0 p -156.14 169.98 23.25 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.544 1.138 . . . . 1.0 111.041 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.97 -10.46 49.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.63 0.98 3.33 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.345 1.609 . . . . 1.0 115.345 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -163.5 146.15 9.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.421 1.464 . . . . 1.0 113.42 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.17 114.68 24.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.179 1.392 . . . . 1.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -76.63 -32.5 58.06 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.11 -37.64 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.389 0.995 . . . . 1.0 111.037 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.7 m -100.22 6.07 44.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 1.0 112.463 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m 36.65 53.61 1.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.671 2.788 . . . . 1.0 113.53 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.19 146.46 44.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.519 1.127 . . . . 1.0 113.384 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -88.03 148.36 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.139 1.376 . . . . 1.0 109.69 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.05 77.22 1.44 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.396 2.279 . . . . 1.0 108.02 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -51.2 -20.52 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 117.096 2.258 . . . . 1.0 117.096 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 t -156.27 171.16 20.68 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.889 1.275 . . . . 1.0 111.377 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.75 -42.29 79.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.136 0.974 . . . . 1.0 111.666 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.518 1.053 . . . . 1.0 112.633 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -65.69 -42.45 91.19 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.815 -0.553 . . . . 1.0 110.327 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -60.63 -47.42 86.29 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.437 0.562 . . . . 1.0 111.185 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.22 -44.57 95.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.567 1.147 . . . . 1.0 111.804 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.84 -42.64 76.88 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.641 0.655 . . . . 1.0 112.407 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -63.56 -51.18 66.51 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.206 0.602 . . . . 1.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.22 -26.87 66.81 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.043 1.127 . . . . 1.0 114.043 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.6 -11.35 51.7 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.958 0.799 . . . . 1.0 113.139 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -67.91 140.88 56.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.072 1.138 . . . . 1.0 114.072 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -63.53 -32.8 74.37 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.11 . . . . 1.0 111.838 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.94 -45.34 92.91 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.236 1.015 . . . . 1.0 111.168 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.28 -49.46 75.57 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.741 0.817 . . . . 1.0 110.678 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.52 88.09 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.522 0.564 . . . . 1.0 112.522 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.707 -0.621 . . . . 1.0 111.657 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -63.33 -41.92 98.92 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.453 -0.779 . . . . 1.0 111.643 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.0 t . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 123.815 0.846 . . . . 1.0 110.463 174.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -129.7 -17.82 3.57 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.693 1.597 . . . . 1.0 114.256 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.3 p -150.0 165.34 32.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.878 1.436 . . . . 1.0 114.878 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.7 t -139.75 90.6 10.98 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.359 1.864 . . . . 1.0 109.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.33 -19.02 50.26 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.484 2.122 . . . . 1.0 113.299 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.4 -22.14 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.831 1.252 . . . . 1.0 111.712 176.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.1 m -127.35 -8.35 5.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.015 1.726 . . . . 1.0 113.672 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.9 m120 57.21 56.79 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 129.085 2.954 . . . . 1.0 112.9 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 68.8 mtm -135.57 171.0 15.07 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.601 1.56 . . . . 1.0 112.456 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -127.56 159.45 34.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.595 1.558 . . . . 1.0 113.512 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -131.3 147.26 52.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.472 1.909 . . . . 1.0 112.398 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 p -78.26 -34.28 49.12 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.76 1.022 . . . . 1.0 113.76 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.2 m -145.52 158.56 50.25 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.94 1.296 . . . . 1.0 113.056 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -50.7 -40.85 55.81 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.106 3.204 . . . . 1.0 115.303 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.14 -37.34 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 1.0 111.704 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.47 -37.87 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.785 0.834 . . . . 1.0 110.754 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.43 84.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.88 0.472 . . . . 1.0 111.084 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.25 -43.4 98.94 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.811 -0.555 . . . . 1.0 111.648 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.7 m -60.92 -37.19 81.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 1.0 112.078 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -69.13 -47.76 64.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.723 -0.61 . . . . 1.0 111.053 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -57.6 -33.17 67.93 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.423 1.268 . . . . 1.0 114.423 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -84.61 -5.0 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 113.339 0.866 . . . . 1.0 113.339 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.25 150.73 23.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.668 1.127 . . . . 1.0 113.313 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -58.44 -31.57 67.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.7 m -58.52 -42.22 87.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.088 0.955 . . . . 1.0 111.367 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.03 -45.68 66.66 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.705 -0.622 . . . . 1.0 110.923 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.73 -39.08 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.404 1.082 . . . . 1.0 111.801 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.2 ttmt -59.39 -45.47 91.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.371 -0.831 . . . . 1.0 110.206 174.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 117.809 -1.091 . . . . 1.0 112.686 176.689 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.323 0 CA-C-O 122.352 0.973 . . . . 1.0 115.281 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.71 -42.72 75.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.96 1.704 . . . . 1.0 113.553 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.15 -49.01 77.54 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.607 0.763 . . . . 1.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.36 96.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.955 0.502 . . . . 1.0 111.926 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.28 -42.94 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 119.032 -0.509 . . . . 1.0 110.91 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -62.16 -47.7 83.35 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.536 1.062 . . . . 1.0 110.919 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -58.14 -43.97 87.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.368 0.985 . . . . 1.0 111.746 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -58.97 -43.41 91.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.214 1.006 . . . . 1.0 111.878 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.38 -48.68 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.807 0.843 . . . . 1.0 110.627 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -58.41 -44.08 88.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.313 1.045 . . . . 1.0 112.598 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.06 -15.16 60.64 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -131.62 39.42 3.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.853 1.261 . . . . 1.0 112.799 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -55.17 -17.82 4.87 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.102 1.519 . . . . 1.0 115.102 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -76.8 -15.5 59.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.955 1.702 . . . . 1.0 113.774 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.0 pt -134.5 -22.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.14 152.13 40.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.111 1.364 . . . . 1.0 109.875 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -153.99 172.21 17.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.038 0.935 . . . . 1.0 112.093 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.12 -21.21 61.28 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.177 1.177 . . . . 1.0 114.177 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 p -135.7 6.23 3.19 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.026 1.861 . . . . 1.0 116.026 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -161.73 144.94 12.22 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.447 1.476 . . . . 1.0 113.21 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -117.01 115.02 24.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.179 1.392 . . . . 1.0 108.807 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -77.14 -34.45 56.55 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.624 0.972 . . . . 1.0 113.624 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -58.25 -39.15 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.723 0.809 . . . . 1.0 111.161 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -100.64 5.13 43.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.021 1.328 . . . . 1.0 112.487 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 36.47 56.55 1.1 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 128.636 2.774 . . . . 1.0 113.061 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 145.19 43.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.764 1.226 . . . . 1.0 112.97 -176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 t -90.47 148.75 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.69 1.196 . . . . 1.0 109.269 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -130.54 71.65 1.47 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.359 2.264 . . . . 1.0 108.479 -175.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.4 pt -66.53 2.08 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 116.052 1.871 . . . . 1.0 116.052 -174.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -147.97 148.58 30.91 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.638 1.575 . . . . 1.0 110.599 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.73 -34.95 73.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.707 -0.62 . . . . 1.0 111.69 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 m -63.67 -39.04 93.34 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.34 0.973 . . . . 1.0 111.631 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -64.83 -45.07 87.71 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.886 -0.509 . . . . 1.0 110.23 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -60.37 -47.46 85.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.458 0.703 . . . . 1.0 111.237 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.85 -43.27 99.18 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.334 1.054 . . . . 1.0 112.153 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.18 73.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.0 0.818 . . . . 1.0 112.306 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.01 -51.4 64.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.385 0.674 . . . . 1.0 112.278 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -66.93 -25.96 66.61 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -86.63 -14.61 42.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.087 0.858 . . . . 1.0 113.282 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -64.16 140.15 58.84 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.802 1.038 . . . . 1.0 113.802 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.74 -31.69 73.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.019 0.927 . . . . 1.0 111.286 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -63.39 -41.57 98.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.19 0.996 . . . . 1.0 111.23 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -63.7 -49.26 73.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.723 0.809 . . . . 1.0 109.872 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.34 81.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.785 0.661 . . . . 1.0 112.785 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.49 -45.18 92.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.573 -0.705 . . . . 1.0 111.306 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.6 -41.48 96.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.11 0.564 . . . . 1.0 111.614 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 N--CA 1.476 0.835 0 CA-C-N 118.744 0.702 . . . . 1.0 110.87 176.082 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 113.883 1.068 . . . . 1.0 113.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -134.56 -15.11 2.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.147 2.179 . . . . 1.0 113.651 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -146.64 144.95 29.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.906 1.282 . . . . 1.0 111.733 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 37.2 t -129.66 90.91 42.14 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.846 2.058 . . . . 1.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.62 -24.08 56.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.979 2.453 . . . . 1.0 113.024 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.67 -33.14 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.153 1.381 . . . . 1.0 111.226 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.0 m -114.85 -1.86 13.07 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.314 1.846 . . . . 1.0 114.344 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 50.39 57.57 6.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.77 2.828 . . . . 1.0 112.79 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.4 ptm -149.25 168.94 21.93 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.529 1.532 . . . . 1.0 112.774 -176.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 53.6 p -126.74 168.48 14.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.824 1.649 . . . . 1.0 112.774 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -131.09 147.0 52.56 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.151 1.38 . . . . 1.0 112.446 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 p -78.81 -19.85 51.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.562 1.145 . . . . 1.0 113.953 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -158.73 146.56 13.56 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.523 1.529 . . . . 1.0 111.513 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.6 -29.91 26.64 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.865 3.043 . . . . 1.0 114.647 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.83 -37.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.213 1.005 . . . . 1.0 111.236 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.4 t -72.97 -41.04 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.0 0.92 . . . . 1.0 109.871 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.93 67.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.709 0.804 . . . . 1.0 112.238 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.85 -41.61 98.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.529 -0.732 . . . . 1.0 112.009 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.8 m -59.76 -38.3 81.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.015 0.926 . . . . 1.0 111.945 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -68.24 -49.83 58.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.692 0.797 . . . . 1.0 110.859 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -58.94 -38.61 79.4 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.57 -8.81 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.63 162.24 23.26 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.834 1.206 . . . . 1.0 114.32 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.03 -30.37 66.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.64 1.176 . . . . 1.0 113.541 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.3 m -53.91 -44.45 70.57 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.916 1.286 . . . . 1.0 112.544 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.62 -45.13 65.8 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.019 0.528 . . . . 1.0 111.513 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.82 -34.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.04 1.336 . . . . 1.0 112.051 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.99 -38.4 73.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.277 1.031 . . . . 1.0 110.969 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 117.789 -1.101 . . . . 1.0 111.752 175.02 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 N-CA-C 112.535 -0.226 . . . . 1.0 112.535 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.83 -37.4 68.66 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.969 1.1 . . . . 1.0 113.969 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.85 -46.31 84.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.284 0.634 . . . . 1.0 111.684 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 119.066 -0.492 . . . . 1.0 111.935 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.1 -42.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.356 0.98 . . . . 1.0 110.279 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -58.47 -46.88 85.72 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.578 0.751 . . . . 1.0 111.153 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m -63.63 -38.67 91.99 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.147 0.579 . . . . 1.0 112.03 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.46 -44.95 95.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.782 0.833 . . . . 1.0 111.096 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.38 -43.28 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.902 0.881 . . . . 1.0 109.778 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -57.8 -47.6 82.12 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.226 0.921 . . . . 1.0 112.093 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -73.57 -14.18 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.57 1.148 . . . . 1.0 113.818 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -132.67 30.56 4.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.034 1.334 . . . . 1.0 112.445 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -54.49 -21.16 9.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.81 -12.21 60.13 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.591 1.956 . . . . 1.0 113.705 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.9 pt -138.37 -20.29 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.842 1.657 . . . . 1.0 114.963 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -119.85 153.13 36.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.954 1.701 . . . . 1.0 109.876 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -155.35 171.55 19.69 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.447 1.099 . . . . 1.0 112.159 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -59.67 -18.45 42.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.681 1.192 . . . . 1.0 114.075 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -133.81 1.72 3.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.116 1.895 . . . . 1.0 116.116 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -162.38 144.86 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.827 1.649 . . . . 1.0 113.714 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -117.13 114.7 24.07 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.298 1.439 . . . . 1.0 109.137 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -78.96 -27.54 43.52 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.1 -40.7 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.317 0.962 . . . . 1.0 110.966 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' SG ' ' HE3' ' A' ' 61' ' ' LYS . 62.0 m -99.38 6.4 46.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.34 1.456 . . . . 1.0 112.15 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 m 37.47 56.87 1.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.555 2.742 . . . . 1.0 113.467 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.96 145.27 43.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.278 1.031 . . . . 1.0 113.606 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.53 147.68 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.031 1.332 . . . . 1.0 109.13 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -125.69 73.11 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.868 2.067 . . . . 1.0 109.295 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 pt -55.79 -14.32 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 116.873 2.175 . . . . 1.0 116.873 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -152.46 158.54 42.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.966 1.306 . . . . 1.0 111.127 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.99 -37.48 71.71 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.784 0.833 . . . . 1.0 112.441 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.5 p -59.94 -37.67 80.2 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 1.0 112.516 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.35 -44.99 67.0 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.393 0.677 . . . . 1.0 109.716 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.98 -47.44 85.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.64 0.776 . . . . 1.0 111.294 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.08 -54.76 42.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.043 0.937 . . . . 1.0 110.812 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.68 91.61 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.206 0.817 . . . . 1.0 113.206 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -66.49 -51.36 57.58 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.459 0.572 . . . . 1.0 112.206 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -69.5 -31.18 69.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.431 0.9 . . . . 1.0 113.431 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -73.86 -29.11 61.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.755 0.822 . . . . 1.0 112.411 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 t -57.49 138.83 54.68 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.546 1.684 . . . . 1.0 115.546 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -27.86 68.18 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.517 1.127 . . . . 1.0 111.726 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.97 -40.19 83.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.816 1.246 . . . . 1.0 111.207 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.35 -48.75 78.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.591 0.756 . . . . 1.0 108.97 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.93 76.02 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.579 0.585 . . . . 1.0 112.579 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -62.83 -47.18 84.51 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.391 -0.818 . . . . 1.0 111.182 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HE3' ' SG ' ' A' ' 39' ' ' CYS . 46.7 mtmt -62.6 -40.54 97.27 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.366 0.666 . . . . 1.0 111.353 176.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.477 0.886 0 C-N-CA 123.798 0.839 . . . . 1.0 111.45 176.118 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -136.77 -7.33 1.89 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.846 1.425 . . . . 1.0 114.846 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.8 t -149.95 155.54 40.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 1.0 112.212 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.8 t -139.55 89.18 12.03 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 1.0 110.012 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.48 -25.97 76.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.348 2.699 . . . . 1.0 114.219 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.47 -26.06 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.922 1.289 . . . . 1.0 111.945 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 85.5 m -122.42 -9.92 8.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.023 1.729 . . . . 1.0 113.483 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 55.9 56.19 6.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.913 2.885 . . . . 1.0 112.501 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -135.93 166.55 23.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.887 1.675 . . . . 1.0 111.886 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -127.26 157.94 38.51 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.574 1.55 . . . . 1.0 113.069 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -131.45 147.46 52.55 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.635 1.974 . . . . 1.0 112.08 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -71.68 -39.17 70.42 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -142.28 158.14 61.7 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.296 1.439 . . . . 1.0 113.363 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.06 -36.88 93.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.902 3.068 . . . . 1.0 115.01 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.21 -32.98 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 119.543 1.065 . . . . 1.0 111.549 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.91 -40.84 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.499 -0.751 . . . . 1.0 109.349 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.93 -47.54 84.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.18 0.592 . . . . 1.0 110.99 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -59.36 -43.29 92.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.296 -0.877 . . . . 1.0 111.473 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.6 m -60.44 -36.73 78.9 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.091 0.956 . . . . 1.0 111.899 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -70.91 -50.35 35.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.064 0.546 . . . . 1.0 111.286 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -56.17 -36.07 67.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -85.53 -7.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.65 158.76 29.97 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.68 1.133 . . . . 1.0 114.271 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.16 -32.64 70.08 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.14 0.976 . . . . 1.0 113.596 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.0 m -56.29 -42.01 76.82 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.346 1.058 . . . . 1.0 111.883 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -68.33 -46.14 71.01 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.432 0.693 . . . . 1.0 111.118 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.89 -43.85 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.077 1.351 . . . . 1.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -60.5 -42.02 95.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.116 0.966 . . . . 1.0 110.973 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 117.952 -1.023 . . . . 1.0 113.025 176.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 CA-C-O 122.159 0.866 . . . . 1.0 115.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -56.7 -35.73 68.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.36 1.464 . . . . 1.0 113.432 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.53 -47.05 80.27 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.687 0.795 . . . . 1.0 111.734 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.75 98.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.101 0.561 . . . . 1.0 111.334 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.04 -44.39 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.256 0.622 . . . . 1.0 110.912 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -60.15 -41.02 91.86 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.404 -0.81 . . . . 1.0 112.411 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -42.9 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.415 0.552 . . . . 1.0 111.278 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.82 -44.28 90.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.575 1.15 . . . . 1.0 112.137 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.45 -44.9 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.925 0.89 . . . . 1.0 110.305 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -65.47 -43.25 90.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.093 0.957 . . . . 1.0 113.362 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.27 -15.01 62.85 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.147 0.979 . . . . 1.0 113.563 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -134.28 38.02 3.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.09 1.356 . . . . 1.0 112.795 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -51.13 -27.49 8.61 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.57 1.322 . . . . 1.0 114.57 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -65.08 -20.05 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.813 1.645 . . . . 1.0 113.871 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.1 pt -131.3 -18.33 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.206 1.558 . . . . 1.0 115.206 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -124.29 151.6 44.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.559 1.144 . . . . 1.0 110.826 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -152.29 166.63 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.268 1.027 . . . . 1.0 111.301 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -52.93 -19.05 2.29 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.2 p -138.3 11.29 2.79 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -163.46 142.62 8.28 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.875 1.67 . . . . 1.0 114.262 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -117.51 118.03 31.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.737 1.615 . . . . 1.0 110.599 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -76.26 -40.05 52.85 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.773 1.027 . . . . 1.0 113.773 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.27 -38.13 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 1.0 111.803 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.29 4.13 43.92 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.595 1.158 . . . . 1.0 111.861 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 37.38 58.52 1.26 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.895 2.878 . . . . 1.0 113.229 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.14 148.27 46.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.726 1.21 . . . . 1.0 113.168 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.43 145.46 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.894 1.278 . . . . 1.0 108.811 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -123.7 75.03 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.309 2.244 . . . . 1.0 108.906 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 pt -65.36 1.79 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 127.141 2.176 . . . . 1.0 116.186 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -155.5 148.79 24.82 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.346 1.458 . . . . 1.0 110.575 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.84 -39.21 91.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.085 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 p -62.5 -37.87 87.71 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.05 1.295 . . . . 1.0 111.839 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -66.86 -42.48 85.59 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.978 0.911 . . . . 1.0 110.38 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -61.88 -47.8 83.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 1.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.656 0.782 . . . . 1.0 111.702 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -42.52 82.12 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.691 0.678 . . . . 1.0 111.929 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -63.93 -51.47 64.31 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.808 -0.557 . . . . 1.0 111.968 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -64.48 -18.97 65.27 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.278 1.214 . . . . 1.0 114.278 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -99.99 -8.06 24.36 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.546 1.138 . . . . 1.0 113.115 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.09 142.51 56.62 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.358 1.063 . . . . 1.0 113.785 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.79 -37.28 81.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.981 1.312 . . . . 1.0 111.594 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.92 -45.1 78.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.088 0.955 . . . . 1.0 110.944 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -59.81 -49.12 78.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.707 0.803 . . . . 1.0 110.719 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.66 85.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.028 0.531 . . . . 1.0 112.363 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.93 -47.22 81.36 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.621 -0.674 . . . . 1.0 111.926 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.72 -43.76 98.24 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.735 0.698 . . . . 1.0 111.483 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 123.633 0.773 . . . . 1.0 112.38 179.289 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 117.151 2.278 . . . . 1.0 117.151 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -131.76 -22.82 2.34 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.609 1.707 . . . . 1.0 115.609 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.59 170.2 19.72 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.244 1.018 . . . . 1.0 113.342 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 41.1 t -145.55 98.87 4.52 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.993 1.717 . . . . 1.0 109.136 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.72 -24.81 24.85 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.551 2.167 . . . . 1.0 113.352 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.75 -37.88 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.338 1.055 . . . . 1.0 110.935 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 -5.74 17.97 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.693 1.597 . . . . 1.0 113.722 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.0 t30 54.68 61.73 2.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 129.268 3.027 . . . . 1.0 113.514 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.4 mtm -138.61 168.04 20.65 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.008 1.323 . . . . 1.0 113.458 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 p -131.71 153.88 49.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.88 2.072 . . . . 1.0 110.997 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.089 1.356 . . . . 1.0 112.59 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.2 p -79.89 -15.57 57.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.882 1.438 . . . . 1.0 114.882 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 162.44 27.51 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 124.601 1.161 . . . . 1.0 112.142 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.09 -28.57 65.49 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.467 2.112 . . . . 1.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.88 -39.24 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.08 0.854 . . . . 1.0 110.11 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.19 -41.06 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.83 66.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.402 0.681 . . . . 1.0 111.176 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.458 0.703 . . . . 1.0 111.994 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.4 m -59.46 -35.98 75.11 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.984 0.811 . . . . 1.0 111.663 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -74.85 -50.58 16.55 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.476 -0.765 . . . . 1.0 111.433 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.94 -41.05 90.98 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.831 1.419 . . . . 1.0 114.831 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.72 -15.71 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.022 0.828 . . . . 1.0 113.23 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.24 154.83 43.22 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.747 0.689 . . . . 1.0 113.53 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -60.02 -26.8 66.37 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.717 0.807 . . . . 1.0 112.586 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -56.86 -43.17 80.93 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.463 1.505 . . . . 1.0 112.345 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.5 -42.43 78.62 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.538 -0.726 . . . . 1.0 110.842 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.77 -41.58 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.467 1.107 . . . . 1.0 111.43 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.93 -36.73 80.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.884 0.874 . . . . 1.0 111.511 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 118.644 -0.693 . . . . 1.0 112.09 175.436 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 CA-C-O 120.425 -0.097 . . . . 1.0 112.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -55.84 -40.2 72.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.801 1.037 . . . . 1.0 113.801 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.97 -44.19 91.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.569 0.622 . . . . 1.0 111.459 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.58 75.09 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.401 0.681 . . . . 1.0 111.714 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.34 -46.38 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.475 1.034 . . . . 1.0 110.622 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.25 -40.68 96.99 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.545 -0.722 . . . . 1.0 111.059 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -65.03 -44.13 90.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.246 0.618 . . . . 1.0 111.534 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.63 -42.56 97.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.174 1.39 . . . . 1.0 111.139 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.93 -49.19 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.246 1.018 . . . . 1.0 109.944 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -59.56 -45.97 90.26 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.924 0.89 . . . . 1.0 113.022 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.15 -16.38 63.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.671 1.188 . . . . 1.0 113.908 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -130.19 31.41 4.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.554 1.541 . . . . 1.0 111.677 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.32 -14.35 1.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.389 1.996 . . . . 1.0 116.389 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -81.82 -14.9 55.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.078 1.751 . . . . 1.0 113.533 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.6 pt -135.77 -21.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.666 1.586 . . . . 1.0 114.776 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -119.96 147.68 44.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.939 1.696 . . . . 1.0 108.849 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -151.61 168.52 24.71 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.961 0.904 . . . . 1.0 112.453 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.34 -19.69 62.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.277 1.431 . . . . 1.0 114.112 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.3 p -132.08 1.78 3.91 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.426 1.639 . . . . 1.0 115.426 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -162.49 147.07 12.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.018 1.281 . . . . 1.0 112.573 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.06 114.71 24.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -77.34 -33.56 55.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.59 -39.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.861 0.755 . . . . 1.0 110.996 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.91 -1.16 53.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.029 1.332 . . . . 1.0 112.654 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.4 m 40.42 55.53 2.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.817 2.447 . . . . 1.0 112.607 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.39 143.4 43.98 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.904 1.281 . . . . 1.0 112.631 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.8 t -87.97 146.36 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.752 1.221 . . . . 1.0 109.913 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.02 73.93 1.0 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.148 2.179 . . . . 1.0 108.275 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 pt -52.37 -17.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 117.075 2.25 . . . . 1.0 117.075 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t -154.92 161.45 41.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.371 1.468 . . . . 1.0 110.469 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.3 -39.03 74.91 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.539 -0.726 . . . . 1.0 111.855 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -59.01 -42.86 91.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.626 1.103 . . . . 1.0 112.18 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.86 -41.9 95.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.372 1.069 . . . . 1.0 110.72 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -61.86 -47.62 84.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.91 0.884 . . . . 1.0 111.024 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.69 -42.43 98.92 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.54 1.136 . . . . 1.0 111.339 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.358 0.527 . . . . 1.0 112.323 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -61.64 -51.51 68.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.806 0.669 . . . . 1.0 112.806 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.68 -22.87 66.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.709 1.003 . . . . 1.0 113.709 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -92.38 -13.59 29.91 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.354 1.062 . . . . 1.0 113.495 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 144.31 53.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.379 1.072 . . . . 1.0 113.462 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -60.05 -28.08 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.481 1.112 . . . . 1.0 112.422 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.14 -38.95 84.65 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.611 1.164 . . . . 1.0 111.533 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -65.42 -44.99 85.65 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.837 0.855 . . . . 1.0 110.897 176.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.24 91.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.828 0.74 . . . . 1.0 112.156 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -61.21 -46.84 88.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.623 -0.673 . . . . 1.0 111.508 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -62.68 -42.95 99.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.917 0.887 . . . . 1.0 111.746 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.67 175.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.772 0.796 . . . . 1.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -137.16 -18.91 1.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.087 1.755 . . . . 1.0 114.777 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 42.2 t -143.67 158.85 43.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.287 1.435 . . . . 1.0 111.932 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.7 t -141.59 88.4 9.73 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 125.385 1.474 . . . . 1.0 110.636 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.35 -27.58 85.36 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.574 2.849 . . . . 1.0 114.255 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.8 t -59.02 -33.92 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.656 1.182 . . . . 1.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.5 m -112.18 -8.71 13.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.463 1.505 . . . . 1.0 113.507 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.78 56.84 5.14 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 128.853 2.861 . . . . 1.0 112.319 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -136.92 167.57 21.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.494 1.518 . . . . 1.0 112.47 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -131.68 162.39 30.54 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.237 1.815 . . . . 1.0 110.971 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.14 146.83 52.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.338 1.055 . . . . 1.0 112.641 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -81.41 -11.71 59.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.156 1.382 . . . . 1.0 114.315 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 t -154.09 146.19 17.16 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 125.374 1.47 . . . . 1.0 111.471 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.6 -23.6 70.16 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.771 2.314 . . . . 1.0 112.504 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.29 -38.43 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.836 0.854 . . . . 1.0 110.37 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.04 -42.98 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.772 0.829 . . . . 1.0 109.786 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.34 59.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.068 0.947 . . . . 1.0 112.538 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -39.54 90.64 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.544 -0.723 . . . . 1.0 112.502 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.4 m -64.36 -40.12 95.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.683 0.793 . . . . 1.0 111.504 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.78 -47.89 81.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.477 0.711 . . . . 1.0 111.832 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.72 -16.17 5.91 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.36 2.78 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.209 1.404 . . . . 1.0 113.226 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.62 158.13 26.02 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.735 1.16 . . . . 1.0 112.897 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.62 -30.03 69.59 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 1.0 113.889 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.4 m -56.65 -40.85 76.18 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.055 0.942 . . . . 1.0 111.494 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -70.08 -44.2 69.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.751 0.82 . . . . 1.0 110.725 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.84 -40.17 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.842 1.257 . . . . 1.0 112.052 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.77 -34.61 73.22 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.158 -0.964 . . . . 1.0 111.339 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 118.54 -0.743 . . . . 1.0 111.932 174.803 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 CA-C-O 120.802 0.112 . . . . 1.0 113.248 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -59.41 -43.71 92.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.296 1.038 . . . . 1.0 112.331 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.07 -40.66 91.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.688 1.195 . . . . 1.0 112.225 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.85 92.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.76 0.424 . . . . 1.0 111.362 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.34 -43.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.351 0.523 . . . . 1.0 110.835 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.81 -46.29 87.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.576 -0.702 . . . . 1.0 111.429 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -65.39 -40.44 93.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.448 0.699 . . . . 1.0 111.808 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.63 -41.4 97.43 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.217 -0.927 . . . . 1.0 111.797 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.93 -44.72 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.966 0.906 . . . . 1.0 109.619 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -59.44 -42.46 91.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.939 1.295 . . . . 1.0 112.469 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.23 -18.52 61.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.464 1.105 . . . . 1.0 113.626 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -133.67 35.62 3.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.842 1.257 . . . . 1.0 113.377 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -57.42 -13.43 3.51 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.467 1.654 . . . . 1.0 115.467 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -78.37 -19.27 53.73 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.527 1.531 . . . . 1.0 113.175 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.1 pt -131.24 -19.81 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.59 1.556 . . . . 1.0 114.914 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -120.82 151.38 39.68 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.457 1.503 . . . . 1.0 109.189 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -155.27 170.88 20.84 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.057 0.943 . . . . 1.0 112.073 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.58 -19.09 56.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.695 1.198 . . . . 1.0 114.146 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -134.67 2.16 3.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.07 145.98 12.22 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.782 1.628 . . . . 1.0 113.566 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.24 116.09 26.57 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.362 1.465 . . . . 1.0 109.201 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.96 -36.54 64.6 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.22 -40.82 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.763 0.825 . . . . 1.0 111.347 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -100.26 4.81 44.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.154 1.382 . . . . 1.0 112.395 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t 36.3 55.54 1.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.805 2.842 . . . . 1.0 112.995 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.04 145.12 43.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.808 1.243 . . . . 1.0 113.137 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.3 t -87.85 147.79 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.002 1.321 . . . . 1.0 109.611 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.15 75.96 1.27 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.46 2.304 . . . . 1.0 108.766 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 pt -54.52 -16.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 117.092 2.256 . . . . 1.0 117.092 -174.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 t -154.84 159.9 40.87 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.083 1.353 . . . . 1.0 110.925 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.13 -36.83 73.52 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.848 0.859 . . . . 1.0 112.58 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 p -61.97 -40.78 96.77 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.454 1.024 . . . . 1.0 111.907 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.84 -42.39 81.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 1.0 110.485 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -59.86 -47.59 85.12 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.728 0.695 . . . . 1.0 110.925 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.9 -51.52 68.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.42 1.088 . . . . 1.0 110.878 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.18 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.8 0.666 . . . . 1.0 112.8 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -67.45 -51.43 51.64 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.784 -0.573 . . . . 1.0 112.131 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -67.34 -27.47 67.16 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.607 0.965 . . . . 1.0 113.607 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.54 -9.3 56.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.797 0.839 . . . . 1.0 113.138 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 139.66 58.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.896 1.072 . . . . 1.0 113.896 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.81 -31.63 72.87 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.6 1.16 . . . . 1.0 111.647 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.95 -45.09 78.84 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.111 . . . . 1.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.99 -49.22 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.66 0.784 . . . . 1.0 110.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.61 86.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.308 0.485 . . . . 1.0 112.308 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -64.4 -39.74 94.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.667 -0.646 . . . . 1.0 112.549 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -69.33 -41.75 76.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.1 0.864 . . . . 1.0 111.276 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 124.216 1.007 . . . . 1.0 111.144 176.194 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 112.055 0.391 . . . . 1.0 112.055 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -118.35 -20.03 8.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.9 1.68 . . . . 1.0 113.4 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 p -137.54 166.24 24.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.5 1.52 . . . . 1.0 113.464 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -146.06 89.66 5.98 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 125.845 1.658 . . . . 1.0 110.038 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -68.26 -20.96 42.39 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.766 2.311 . . . . 1.0 113.18 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -29.09 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.591 1.556 . . . . 1.0 111.596 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.8 m -123.75 -6.7 7.97 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.395 1.878 . . . . 1.0 114.348 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 56.6 57.44 4.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.844 2.858 . . . . 1.0 112.778 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.1 mtm -138.04 171.26 14.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.542 1.537 . . . . 1.0 112.757 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 p -131.95 163.89 27.35 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.254 1.822 . . . . 1.0 112.173 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.21 147.18 52.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.738 1.215 . . . . 1.0 113.164 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.9 p -79.19 -16.69 56.2 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.104 1.362 . . . . 1.0 114.453 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 t -155.75 145.15 15.24 Favored Pre-proline 0 N--CA 1.471 0.602 0 C-N-CA 125.225 1.41 . . . . 1.0 111.517 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.35 -34.58 50.7 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.676 2.918 . . . . 1.0 114.376 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.94 -38.1 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.587 -0.695 . . . . 1.0 111.279 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.62 -39.81 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.627 0.771 . . . . 1.0 109.872 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.81 79.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.318 0.647 . . . . 1.0 111.095 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.7 -43.14 89.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.016 0.526 . . . . 1.0 111.96 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.0 m -65.17 -39.53 93.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.296 0.638 . . . . 1.0 111.885 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -63.63 -47.87 79.6 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.573 -0.704 . . . . 1.0 111.746 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.11 -15.01 4.53 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.49 1.92 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.094 1.358 . . . . 1.0 113.415 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.68 153.61 24.12 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.522 1.058 . . . . 1.0 112.508 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -58.01 -29.66 65.47 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.625 1.343 . . . . 1.0 114.625 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.5 m -58.75 -44.13 90.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.822 0.849 . . . . 1.0 110.845 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -70.48 -43.58 69.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.787 0.835 . . . . 1.0 111.52 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.6 -37.73 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.675 1.19 . . . . 1.0 111.817 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -57.84 -43.52 85.91 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.578 -0.702 . . . . 1.0 110.132 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 117.666 -1.159 . . . . 1.0 112.845 176.818 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 N-CA-C 112.346 -0.302 . . . . 1.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -55.95 -37.03 68.45 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.05 -44.64 91.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.744 0.702 . . . . 1.0 111.861 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.85 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 1.0 111.591 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.39 -46.28 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.989 0.813 . . . . 1.0 110.766 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -61.22 -44.42 97.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.377 0.671 . . . . 1.0 111.038 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -65.96 -39.33 90.33 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.651 0.66 . . . . 1.0 112.423 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.51 -43.09 97.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.239 0.927 . . . . 1.0 110.786 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.86 -50.11 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.372 1.069 . . . . 1.0 110.067 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.794 1.637 . . . . 1.0 113.111 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -74.91 -15.72 60.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.679 1.192 . . . . 1.0 113.757 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -134.41 41.98 2.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.916 1.287 . . . . 1.0 112.806 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -54.69 -18.85 5.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.186 1.55 . . . . 1.0 115.186 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -75.02 -20.31 59.67 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 1.0 113.821 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.7 pt -130.09 -16.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 115.024 1.49 . . . . 1.0 115.024 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -129.84 148.91 51.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.081 1.352 . . . . 1.0 110.64 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 p -149.71 170.12 19.45 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.941 1.297 . . . . 1.0 110.671 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.61 -10.28 25.34 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.179 0.807 . . . . 1.0 113.179 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.0 p -131.71 -1.86 3.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 115.637 1.718 . . . . 1.0 115.637 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -161.97 146.43 12.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.831 1.651 . . . . 1.0 113.604 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -117.43 114.87 24.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.075 1.35 . . . . 1.0 108.809 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -74.79 -36.28 62.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.397 0.888 . . . . 1.0 113.397 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.45 -37.03 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.786 0.834 . . . . 1.0 111.478 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -104.0 8.18 36.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.532 1.533 . . . . 1.0 112.317 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 33.75 55.76 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.961 2.904 . . . . 1.0 114.018 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.08 144.36 43.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.604 1.162 . . . . 1.0 113.161 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.02 148.57 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.111 1.364 . . . . 1.0 109.674 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.67 74.86 1.51 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.551 2.34 . . . . 1.0 108.923 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -15.1 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 117.17 2.285 . . . . 1.0 117.17 -174.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 m -155.66 158.12 37.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.472 1.509 . . . . 1.0 111.212 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -56.75 -36.31 69.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.181 0.992 . . . . 1.0 113.124 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -61.74 -41.15 97.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.015 1.28 . . . . 1.0 112.212 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -68.53 -40.06 80.92 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.564 -0.71 . . . . 1.0 110.402 174.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.76 -47.77 84.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.623 0.647 . . . . 1.0 110.563 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.19 -41.7 97.28 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.305 1.042 . . . . 1.0 111.892 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.77 74.49 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.606 0.639 . . . . 1.0 112.0 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.74 -51.37 62.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.196 0.598 . . . . 1.0 112.199 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.85 -18.75 65.55 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.191 1.182 . . . . 1.0 114.191 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -98.28 -11.9 22.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.28 1.032 . . . . 1.0 112.85 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 t -59.82 136.54 58.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.039 0.936 . . . . 1.0 111.977 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -63.97 -29.97 71.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.356 0.663 . . . . 1.0 112.217 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.83 -45.53 74.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.076 0.95 . . . . 1.0 110.254 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -61.98 -49.21 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.012 0.925 . . . . 1.0 110.273 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.33 79.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.925 0.89 . . . . 1.0 112.304 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.72 -45.48 89.78 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.778 -0.576 . . . . 1.0 111.583 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.07 -43.69 91.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.519 0.728 . . . . 1.0 111.888 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 123.625 0.77 . . . . 1.0 110.826 176.097 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -136.39 -21.55 1.35 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.519 1.927 . . . . 1.0 113.238 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.6 p -149.3 172.42 14.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.199 . . . . 1.0 112.152 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.1 t -145.39 93.84 5.31 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.229 1.411 . . . . 1.0 110.036 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.45 -22.03 45.87 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.529 2.153 . . . . 1.0 113.439 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.0 -31.45 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.381 1.073 . . . . 1.0 111.255 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.2 m -112.33 -10.22 13.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.976 1.71 . . . . 1.0 113.561 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.3 t30 57.18 58.3 4.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.712 2.805 . . . . 1.0 112.545 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.4 mtm -136.87 168.07 20.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.346 1.458 . . . . 1.0 113.066 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -130.96 156.4 45.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.637 1.975 . . . . 1.0 111.435 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.31 147.07 52.54 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.94 1.296 . . . . 1.0 112.541 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 p -77.59 -17.37 57.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.525 1.306 . . . . 1.0 114.525 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -159.29 148.47 14.43 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.026 1.33 . . . . 1.0 112.13 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.54 -30.73 36.88 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.583 2.855 . . . . 1.0 113.827 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -39.14 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.275 1.03 . . . . 1.0 111.054 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.64 -41.19 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.007 0.923 . . . . 1.0 109.679 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.22 -50.93 71.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.588 0.755 . . . . 1.0 112.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.95 -40.74 98.57 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.337 -0.852 . . . . 1.0 112.072 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.7 m -59.94 -37.85 80.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.689 0.796 . . . . 1.0 111.357 176.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -68.56 -49.77 56.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.294 0.638 . . . . 1.0 110.945 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -55.01 -35.69 64.66 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.731 1.011 . . . . 1.0 113.731 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.82 -5.77 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 113.849 1.055 . . . . 1.0 113.849 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.38 159.34 27.23 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.588 1.089 . . . . 1.0 113.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -61.99 -24.94 67.34 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.182 1.178 . . . . 1.0 114.182 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -58.17 -41.13 83.2 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.11 0.868 . . . . 1.0 110.971 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -70.11 -46.15 65.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.283 0.633 . . . . 1.0 110.91 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.74 -39.34 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.077 1.351 . . . . 1.0 112.271 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.91 -39.97 79.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.821 0.849 . . . . 1.0 110.729 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 118.308 -0.853 . . . . 1.0 112.225 175.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.407 0 N-CA-C 114.588 0.595 . . . . 1.0 114.588 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -55.9 -43.37 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.32 -47.07 84.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.023 0.929 . . . . 1.0 112.32 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.12 78.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 122.048 -0.407 . . . . 1.0 111.807 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.27 -46.15 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.881 0.764 . . . . 1.0 110.674 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.33 -40.95 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.428 -0.795 . . . . 1.0 111.215 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -65.05 -44.14 90.03 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.177 0.591 . . . . 1.0 111.389 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.73 -42.18 96.8 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.908 1.283 . . . . 1.0 111.332 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.3 -50.2 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.266 1.026 . . . . 1.0 109.751 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -61.53 -41.63 97.63 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.52 0.933 . . . . 1.0 113.52 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.78 -14.83 62.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.13 0.972 . . . . 1.0 113.444 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.1 38.0 3.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.293 1.437 . . . . 1.0 112.113 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -52.7 -20.54 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -74.4 -19.79 60.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.781 1.632 . . . . 1.0 113.792 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 pt -132.61 -18.5 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -125.62 142.76 51.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.133 1.373 . . . . 1.0 109.575 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 p -147.75 171.99 14.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.918 1.287 . . . . 1.0 110.946 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.06 -10.82 33.12 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.4 p -131.89 -3.02 3.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.629 1.714 . . . . 1.0 115.629 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -160.84 145.8 14.19 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.877 1.671 . . . . 1.0 113.877 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.53 114.33 23.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.029 1.332 . . . . 1.0 108.491 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.9 -33.49 57.79 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.495 0.924 . . . . 1.0 113.495 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.62 -29.86 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.079 0.952 . . . . 1.0 111.407 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -112.58 8.53 19.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.122 1.769 . . . . 1.0 112.584 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m 35.13 54.49 0.75 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.67 2.788 . . . . 1.0 113.681 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.02 145.07 43.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.485 1.114 . . . . 1.0 113.584 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -87.96 147.6 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.144 1.378 . . . . 1.0 109.546 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.9 mt -121.33 76.91 1.28 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.365 2.266 . . . . 1.0 108.724 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 pt -53.02 -17.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 117.246 2.313 . . . . 1.0 117.246 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 t -156.88 162.49 39.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.311 1.445 . . . . 1.0 110.616 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -58.35 -35.84 72.55 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.419 -0.801 . . . . 1.0 111.896 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 p -60.79 -43.06 98.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.217 . . . . 1.0 111.909 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -65.41 -42.27 92.72 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.347 1.059 . . . . 1.0 110.755 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -61.11 -47.81 84.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.49 0.716 . . . . 1.0 110.797 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.07 -42.18 98.93 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.693 1.197 . . . . 1.0 111.654 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -43.29 71.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.524 0.602 . . . . 1.0 112.069 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.86 -51.43 64.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.938 0.79 . . . . 1.0 111.659 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -64.14 -17.84 63.86 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.238 1.199 . . . . 1.0 114.238 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -105.5 -2.62 23.42 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.899 1.279 . . . . 1.0 113.161 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.8 t -72.85 142.08 47.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.518 1.127 . . . . 1.0 113.795 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.179 -0.95 . . . . 1.0 112.036 174.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.99 -35.78 77.09 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.701 1.2 . . . . 1.0 111.207 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -70.27 -40.63 74.22 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 1.0 109.736 173.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.26 82.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.945 0.72 . . . . 1.0 112.945 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -62.66 -32.16 73.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.245 -0.909 . . . . 1.0 112.602 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -74.5 -38.98 62.69 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.678 -0.639 . . . . 1.0 111.127 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 123.592 0.757 . . . . 1.0 110.628 172.66 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 118.539 2.792 . . . . 1.0 118.539 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -130.5 -21.25 2.85 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.193 2.294 . . . . 1.0 117.193 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -144.13 163.26 34.09 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.377 1.444 . . . . 1.0 113.996 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 t -144.26 91.35 6.42 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 126.109 1.764 . . . . 1.0 110.415 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.69 -20.05 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.946 2.431 . . . . 1.0 113.635 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.03 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.771 0.829 . . . . 1.0 110.27 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 78.3 m -98.05 -10.37 24.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.158 1.383 . . . . 1.0 113.578 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 21.0 m120 60.87 55.24 3.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.877 2.471 . . . . 1.0 111.635 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.4 mtm -135.55 168.18 19.72 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.133 1.373 . . . . 1.0 113.41 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.92 163.19 28.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.039 2.136 . . . . 1.0 110.174 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -130.97 145.67 52.12 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.09 0.774 . . . . 1.0 113.09 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -76.46 -18.89 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.095 1.358 . . . . 1.0 114.565 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -155.82 148.43 17.87 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 125.072 1.349 . . . . 1.0 112.001 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -50.67 -34.01 42.01 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.762 2.975 . . . . 1.0 113.757 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.47 -44.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.357 1.063 . . . . 1.0 110.773 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.83 -41.49 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.677 0.791 . . . . 1.0 110.348 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.66 54.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.161 0.584 . . . . 1.0 112.228 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.61 -42.76 99.33 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.314 -0.866 . . . . 1.0 112.321 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 m -59.75 -36.33 76.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.535 0.734 . . . . 1.0 112.12 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.81 -50.16 63.48 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.664 0.666 . . . . 1.0 111.054 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.95 -36.27 76.74 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.954 1.094 . . . . 1.0 113.954 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -85.52 -9.05 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.354 0.872 . . . . 1.0 113.354 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.93 159.4 23.68 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.82 1.2 . . . . 1.0 113.717 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -16.97 63.53 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 m -58.48 -39.92 81.29 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.335 1.054 . . . . 1.0 111.186 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.64 -44.48 74.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.286 0.634 . . . . 1.0 110.404 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.85 -38.74 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.236 1.414 . . . . 1.0 112.293 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.32 -39.47 75.91 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.09 0.859 . . . . 1.0 110.646 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 118.279 -0.867 . . . . 1.0 111.326 175.586 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 113.175 0.03 . . . . 1.0 113.175 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.03 -43.13 81.6 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.648 0.779 . . . . 1.0 113.027 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -60.52 -43.02 97.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.002 0.921 . . . . 1.0 111.939 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.32 85.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.968 0.507 . . . . 1.0 111.35 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.74 -46.04 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.513 0.597 . . . . 1.0 110.66 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.43 -43.56 96.67 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.553 -0.717 . . . . 1.0 111.495 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -64.24 -44.32 92.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.303 0.641 . . . . 1.0 111.511 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.52 -43.28 93.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.81 1.244 . . . . 1.0 111.533 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.19 -50.06 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.024 0.93 . . . . 1.0 110.021 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -60.7 -42.32 96.95 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.785 1.031 . . . . 1.0 113.785 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.59 -12.93 60.31 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.554 0.946 . . . . 1.0 113.554 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -128.18 35.72 4.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.413 1.485 . . . . 1.0 111.856 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -54.07 -18.22 3.44 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.439 1.644 . . . . 1.0 115.439 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -75.38 -16.05 60.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.709 1.604 . . . . 1.0 113.685 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.2 pt -136.5 -22.13 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.316 1.446 . . . . 1.0 114.812 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -119.84 154.74 33.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.495 1.518 . . . . 1.0 109.724 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.9 p -156.19 170.22 22.73 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.779 0.831 . . . . 1.0 111.585 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.85 -18.97 59.0 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.787 1.032 . . . . 1.0 113.787 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -135.81 6.01 3.15 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.038 1.866 . . . . 1.0 116.038 -176.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -162.03 144.62 11.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.602 1.546 . . . . 1.0 113.25 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -117.54 115.0 24.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.013 1.325 . . . . 1.0 109.685 172.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -77.14 -32.09 56.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.64 -35.92 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 123.811 0.844 . . . . 1.0 111.752 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -105.48 7.3 32.99 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.592 1.557 . . . . 1.0 112.219 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m 36.43 54.01 1.04 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.88 2.872 . . . . 1.0 113.717 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.28 148.98 46.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.461 1.104 . . . . 1.0 113.671 -176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.48 147.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.088 1.355 . . . . 1.0 109.405 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -126.09 73.54 1.37 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.257 2.223 . . . . 1.0 108.446 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -52.85 -14.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 117.214 2.301 . . . . 1.0 117.214 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -153.74 159.46 41.97 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.105 1.362 . . . . 1.0 110.933 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.81 -36.58 70.09 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.684 0.794 . . . . 1.0 111.583 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -59.05 -37.95 78.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.698 1.135 . . . . 1.0 112.799 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -70.85 -44.91 65.46 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.506 0.722 . . . . 1.0 109.875 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.71 -47.22 85.33 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.03 0.932 . . . . 1.0 111.099 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.99 -44.98 96.61 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.617 1.167 . . . . 1.0 111.724 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.45 80.07 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.082 0.855 . . . . 1.0 112.122 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -64.57 -51.3 63.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.716 0.807 . . . . 1.0 112.693 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.2 -21.67 62.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.341 1.237 . . . . 1.0 114.341 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -91.24 -12.53 34.95 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.355 0.98 . . . . 1.0 112.962 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.9 t -77.53 130.62 37.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.113 0.965 . . . . 1.0 111.624 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -54.95 -26.98 40.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.28 -36.25 75.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.091 0.956 . . . . 1.0 111.485 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.98 -49.21 73.4 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.4 0.68 . . . . 1.0 110.696 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.85 85.94 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.93 -0.481 . . . . 1.0 111.934 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -57.71 -47.05 83.49 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.935 -0.478 . . . . 1.0 111.383 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.81 -34.34 77.61 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.062 -0.97 . . . . 1.0 112.44 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-N 119.655 1.116 . . . . 1.0 111.2 176.355 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.6 p . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 113.248 0.833 . . . . 1.0 113.248 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -121.08 -10.28 9.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.754 2.022 . . . . 1.0 111.519 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.1 t -146.16 162.03 38.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.607 1.563 . . . . 1.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.4 t -142.42 95.82 6.49 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 127.104 2.162 . . . . 1.0 109.176 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.36 -22.0 29.92 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.691 2.261 . . . . 1.0 113.58 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.06 -23.48 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 1.0 111.745 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -122.51 -8.52 8.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.361 1.864 . . . . 1.0 113.701 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 55.08 58.15 4.97 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.674 2.79 . . . . 1.0 112.576 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtm -135.4 169.39 17.57 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.486 1.514 . . . . 1.0 112.538 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.4 p -131.07 157.96 41.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.055 1.742 . . . . 1.0 111.994 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.444 1.498 . . . . 1.0 112.3 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.8 p -71.9 -30.54 65.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.4 m -150.48 153.89 34.96 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.121 1.369 . . . . 1.0 112.184 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.22 -40.07 42.68 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 124.182 3.255 . . . . 1.0 115.597 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -37.85 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.473 -0.767 . . . . 1.0 111.696 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.44 -40.08 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.666 0.786 . . . . 1.0 110.06 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.8 84.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.936 0.494 . . . . 1.0 110.97 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.62 -43.4 89.64 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.546 -0.721 . . . . 1.0 111.515 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 m -60.77 -36.2 78.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.501 0.72 . . . . 1.0 112.211 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -70.15 -50.22 42.66 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.717 -0.615 . . . . 1.0 111.248 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -56.03 -31.21 62.91 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.462 1.282 . . . . 1.0 114.462 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.43 -4.72 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.59 157.85 26.91 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.419 1.009 . . . . 1.0 114.46 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -57.45 -32.62 67.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.438 1.095 . . . . 1.0 113.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -56.75 -43.88 81.19 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.586 1.154 . . . . 1.0 111.255 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -70.25 -42.68 71.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.962 -0.461 . . . . 1.0 111.615 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.93 -37.65 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.953 0.901 . . . . 1.0 111.581 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.42 -40.11 74.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.408 -0.808 . . . . 1.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.083 0.953 . . . . 1.0 113.072 176.079 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 CA-C-O 121.033 0.241 . . . . 1.0 113.219 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.54 -36.7 76.64 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.8 -45.23 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.759 0.709 . . . . 1.0 111.734 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.9 83.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.194 0.598 . . . . 1.0 111.462 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.76 -46.24 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 122.973 0.509 . . . . 1.0 111.677 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -60.96 -43.06 99.27 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.121 0.873 . . . . 1.0 111.204 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -64.89 -43.21 93.64 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.724 0.809 . . . . 1.0 111.406 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -43.39 97.63 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.123 -0.986 . . . . 1.0 111.482 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.64 -46.62 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.849 0.86 . . . . 1.0 109.551 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -58.72 -47.55 84.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.569 1.148 . . . . 1.0 112.646 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.5 -13.93 62.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -132.88 36.45 3.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.2 1.4 . . . . 1.0 112.199 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.5 p -55.24 -16.96 3.76 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.444 1.646 . . . . 1.0 115.444 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -81.93 -14.67 55.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.223 1.809 . . . . 1.0 113.783 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.2 pt -135.36 -12.83 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 125.416 1.486 . . . . 1.0 114.902 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -128.46 152.98 47.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.249 1.82 . . . . 1.0 109.623 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -155.88 163.64 39.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.729 1.211 . . . . 1.0 111.391 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.98 -16.28 41.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.448 1.277 . . . . 1.0 114.448 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 p -126.42 -2.91 6.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.09 1.515 . . . . 1.0 115.09 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -163.13 135.78 5.45 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.123 1.329 . . . . 1.0 112.892 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.2 t -102.34 114.86 29.39 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.329 -1.36 . . . . 1.0 107.329 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -20.49 31.3 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.744 1.016 . . . . 1.0 113.744 -176.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.14 -36.08 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 118.967 0.803 . . . . 1.0 110.528 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.3 m -103.97 6.31 36.12 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.554 1.542 . . . . 1.0 112.637 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.3 m 38.13 55.79 1.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.049 2.539 . . . . 1.0 113.41 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.55 139.28 43.81 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.555 1.142 . . . . 1.0 112.685 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.3 t -87.62 146.08 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.534 1.134 . . . . 1.0 109.433 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -122.63 75.64 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.108 2.163 . . . . 1.0 108.653 -174.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.65 -17.58 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 116.688 2.107 . . . . 1.0 116.688 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -154.53 162.08 41.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.385 1.474 . . . . 1.0 110.65 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -57.02 -35.75 69.63 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.798 0.839 . . . . 1.0 112.112 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 p -62.18 -40.71 96.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.025 1.284 . . . . 1.0 112.263 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -67.4 -41.3 85.15 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.676 -0.64 . . . . 1.0 110.242 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -60.04 -47.7 84.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.244 0.618 . . . . 1.0 110.985 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.75 -48.22 81.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.149 0.98 . . . . 1.0 110.829 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.35 99.02 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.808 0.67 . . . . 1.0 112.808 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -66.31 -51.37 58.01 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.701 0.682 . . . . 1.0 112.264 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -66.38 -17.82 65.0 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.206 1.188 . . . . 1.0 114.206 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -97.94 -12.73 21.71 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.391 1.076 . . . . 1.0 113.459 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.0 p -68.65 154.72 41.39 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -68.09 -33.46 74.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.066 . . . . 1.0 111.874 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.34 -45.16 77.2 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.907 1.283 . . . . 1.0 110.991 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -61.72 -48.49 80.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.851 0.86 . . . . 1.0 110.468 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.13 83.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.94 0.496 . . . . 1.0 111.909 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -63.85 -47.24 81.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.554 -0.736 . . . . 1.0 112.003 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -60.19 -45.31 93.58 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.95 0.796 . . . . 1.0 111.746 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.4 t . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 118.816 -0.612 . . . . 1.0 110.689 177.628 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 118.033 2.605 . . . . 1.0 118.033 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -83.06 -27.22 30.43 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.839 1.199 . . . . 1.0 112.328 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.7 p -150.4 169.45 21.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.333 1.453 . . . . 1.0 113.22 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.7 t -134.61 92.12 20.37 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 127.374 2.269 . . . . 1.0 107.244 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 -29.78 25.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.403 2.735 . . . . 1.0 116.463 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.3 -47.66 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.458 1.481 . . . . 1.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.51 -9.06 58.38 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.294 1.038 . . . . 1.0 112.904 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 62.2 t30 52.28 63.55 2.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.868 3.267 . . . . 1.0 114.362 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -146.49 169.45 18.9 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.509 1.123 . . . . 1.0 113.178 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.8 p -125.76 163.08 23.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.901 1.68 . . . . 1.0 111.409 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.1 145.06 51.86 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.368 0.877 . . . . 1.0 113.368 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 p -77.05 -23.43 52.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.676 1.19 . . . . 1.0 113.814 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.8 m -145.32 149.04 39.89 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 126.242 1.817 . . . . 1.0 110.588 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.84 -27.93 59.18 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.246 2.631 . . . . 1.0 113.675 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.79 -32.89 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.669 0.788 . . . . 1.0 111.507 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.86 -42.04 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.652 0.781 . . . . 1.0 110.274 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.92 78.48 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.392 0.677 . . . . 1.0 110.836 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.95 -43.57 91.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.853 -0.529 . . . . 1.0 111.409 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -59.93 -38.38 82.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.415 1.086 . . . . 1.0 112.055 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -70.06 -43.13 71.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.822 0.849 . . . . 1.0 111.886 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.89 -27.98 63.21 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.704 1.742 . . . . 1.0 115.704 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -74.95 -0.09 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.358 1.435 . . . . 1.0 114.649 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.34 158.31 19.71 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.785 1.184 . . . . 1.0 113.709 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -62.34 -16.6 55.3 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.464 1.283 . . . . 1.0 114.464 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -52.89 -44.02 66.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.756 1.162 . . . . 1.0 112.25 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.39 -47.03 83.71 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.631 -0.668 . . . . 1.0 110.802 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.93 -37.11 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.301 1.44 . . . . 1.0 112.516 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.56 -37.73 84.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.093 -1.004 . . . . 1.0 110.609 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.476 173.648 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 112.649 -0.18 . . . . 1.0 112.649 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -55.63 -43.13 75.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.534 0.734 . . . . 1.0 112.707 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.26 -41.9 94.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.398 1.079 . . . . 1.0 112.447 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.41 74.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 1.0 111.208 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.32 -44.77 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.381 0.537 . . . . 1.0 110.438 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -60.24 -44.33 95.32 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.839 0.855 . . . . 1.0 111.125 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.3 m -63.96 -40.99 97.68 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.459 0.704 . . . . 1.0 112.498 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.56 -43.65 98.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.582 1.153 . . . . 1.0 111.009 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.38 -46.48 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.208 1.003 . . . . 1.0 110.417 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -56.85 -46.99 81.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.103 1.361 . . . . 1.0 112.6 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -83.6 -7.24 59.55 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.467 1.284 . . . . 1.0 114.467 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -134.33 36.28 3.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.215 1.406 . . . . 1.0 111.779 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.0 p -54.63 -18.31 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.655 1.724 . . . . 1.0 115.655 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -76.98 -20.26 56.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.634 1.573 . . . . 1.0 113.504 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.08 -17.48 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.392 1.477 . . . . 1.0 114.955 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.84 149.83 48.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.672 1.589 . . . . 1.0 109.614 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -153.06 169.34 23.18 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.237 1.015 . . . . 1.0 111.966 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.73 -19.22 48.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.81 1.244 . . . . 1.0 113.951 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -133.5 4.28 3.65 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.885 1.809 . . . . 1.0 115.885 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -163.34 144.41 9.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.65 1.568 . . . . 1.0 113.233 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.9 t -115.83 114.66 25.04 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.197 1.399 . . . . 1.0 108.398 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -76.69 -33.21 58.24 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.056 0.761 . . . . 1.0 113.056 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.61 -33.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.336 0.655 . . . . 1.0 111.525 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.6 9.64 25.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 1.0 112.342 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m 34.72 56.98 0.73 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.672 2.789 . . . . 1.0 113.623 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.78 141.02 42.94 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.288 1.035 . . . . 1.0 113.235 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -87.83 147.43 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.828 1.251 . . . . 1.0 109.364 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.79 70.01 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.145 2.178 . . . . 1.0 109.248 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -52.2 -19.74 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 117.06 2.245 . . . . 1.0 117.06 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 m -145.95 157.94 43.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.071 1.348 . . . . 1.0 111.074 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.93 -36.4 70.19 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.0 p -60.18 -37.3 79.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.572 1.078 . . . . 1.0 112.508 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -69.97 -45.01 68.29 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.333 0.653 . . . . 1.0 109.854 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -60.13 -47.65 85.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.457 0.703 . . . . 1.0 111.038 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.57 -43.57 98.48 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.208 1.003 . . . . 1.0 111.564 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -40.96 77.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.329 0.968 . . . . 1.0 112.522 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -66.55 -51.31 57.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.521 0.601 . . . . 1.0 111.831 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -66.97 -31.85 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.07 -8.67 59.51 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.237 0.926 . . . . 1.0 113.346 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.5 t -67.94 136.76 54.47 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.199 -0.938 . . . . 1.0 112.707 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -63.08 -30.45 71.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.468 0.707 . . . . 1.0 111.452 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.89 -45.15 87.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.827 0.851 . . . . 1.0 110.428 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -60.91 -49.39 77.67 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.551 0.741 . . . . 1.0 110.404 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.34 84.5 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -64.0 -46.07 86.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.559 -0.713 . . . . 1.0 111.656 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -61.01 -43.78 98.38 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.168 0.987 . . . . 1.0 110.86 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 124.166 0.986 . . . . 1.0 110.98 175.304 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -125.91 -10.78 6.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.608 1.963 . . . . 1.0 112.53 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.5 p -135.89 164.42 27.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.026 1.33 . . . . 1.0 113.583 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.8 t -148.02 89.37 5.28 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.734 1.614 . . . . 1.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.86 -30.09 22.34 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.889 2.393 . . . . 1.0 114.879 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.4 t -64.53 -46.88 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.189 0.904 . . . . 1.0 110.405 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -83.94 -8.93 59.05 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.598 1.159 . . . . 1.0 112.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.89 59.57 3.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.982 3.313 . . . . 1.0 114.117 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -150.26 179.38 8.16 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.136 1.374 . . . . 1.0 113.361 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.7 p -132.03 167.51 19.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.012 1.725 . . . . 1.0 112.917 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -131.22 147.03 52.55 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.268 1.427 . . . . 1.0 112.019 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.0 p -77.63 -26.49 50.58 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.114 0.966 . . . . 1.0 113.328 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -139.02 145.57 45.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.598 1.559 . . . . 1.0 112.19 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.13 -25.1 65.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.993 2.462 . . . . 1.0 113.137 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.6 t -63.92 -38.93 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.244 0.929 . . . . 1.0 110.448 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 t -65.65 -43.74 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.913 0.885 . . . . 1.0 109.951 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.45 65.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.703 0.801 . . . . 1.0 111.828 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.79 -42.85 90.01 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.753 0.821 . . . . 1.0 111.827 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.8 t -63.9 -40.36 96.32 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.844 . . . . 1.0 111.844 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -66.97 -48.25 69.09 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 1.0 112.935 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -54.93 -31.09 60.03 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.681 1.363 . . . . 1.0 114.681 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.32 -2.08 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 113.942 1.09 . . . . 1.0 113.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.44 153.75 21.87 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.342 0.972 . . . . 1.0 113.298 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.7 -25.7 67.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.128 1.158 . . . . 1.0 114.128 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.3 m -59.12 -40.07 84.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.22 0.918 . . . . 1.0 111.138 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -69.35 -46.62 66.56 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.377 0.671 . . . . 1.0 110.614 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.969 1.308 . . . . 1.0 112.242 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.18 -40.42 85.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.421 -0.8 . . . . 1.0 110.702 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 123.647 0.779 . . . . 1.0 111.606 175.735 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 113.384 0.114 . . . . 1.0 113.384 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.85 -37.93 71.99 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.92 -44.69 91.37 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.886 0.766 . . . . 1.0 111.885 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.36 74.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.053 -0.498 . . . . 1.0 111.52 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.43 -42.97 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.351 0.978 . . . . 1.0 110.652 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -59.68 -46.18 89.82 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.205 1.002 . . . . 1.0 110.799 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.0 t -62.16 -44.2 97.14 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.898 -0.502 . . . . 1.0 111.343 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.85 -41.57 91.74 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.807 1.243 . . . . 1.0 112.158 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.13 -50.12 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.134 0.974 . . . . 1.0 109.877 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -61.26 -42.73 99.13 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.305 1.042 . . . . 1.0 113.091 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -68.98 -15.22 63.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.295 1.038 . . . . 1.0 113.359 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -131.43 35.61 3.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.694 1.598 . . . . 1.0 112.083 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -53.62 -19.82 4.41 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.553 1.686 . . . . 1.0 115.553 -177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -74.82 -19.82 60.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.746 1.619 . . . . 1.0 113.598 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -131.97 -20.88 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.27 1.582 . . . . 1.0 115.27 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -121.75 150.25 42.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.253 1.421 . . . . 1.0 109.827 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -154.87 168.61 26.34 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.799 1.24 . . . . 1.0 111.276 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.74 -15.41 53.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.991 1.108 . . . . 1.0 113.991 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 p -131.8 0.87 3.95 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.743 1.757 . . . . 1.0 115.743 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -163.81 145.4 9.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.454 1.479 . . . . 1.0 113.398 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -117.24 115.8 26.0 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.221 1.408 . . . . 1.0 108.966 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -73.92 -37.22 64.69 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.687 0.995 . . . . 1.0 113.687 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.6 -39.45 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.62 0.768 . . . . 1.0 111.126 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -101.54 8.11 42.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.437 1.495 . . . . 1.0 112.407 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 32.59 54.93 0.38 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.092 2.957 . . . . 1.0 114.034 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.13 145.86 44.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.738 1.215 . . . . 1.0 113.079 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.9 149.7 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.118 1.367 . . . . 1.0 109.742 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 mt -125.46 73.79 1.34 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.343 2.257 . . . . 1.0 109.147 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.81 -12.62 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 117.048 2.24 . . . . 1.0 117.048 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -152.23 156.25 39.35 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.068 1.347 . . . . 1.0 110.951 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -56.94 -39.17 74.04 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.804 0.842 . . . . 1.0 112.184 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -61.84 -35.78 79.27 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.238 0.926 . . . . 1.0 112.02 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.76 -43.83 74.97 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.853 -0.529 . . . . 1.0 109.799 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -58.6 -47.68 83.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.414 0.686 . . . . 1.0 111.007 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.0 -52.15 66.21 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.029 0.932 . . . . 1.0 110.777 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.63 86.96 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -67.85 -51.12 51.99 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.951 0.796 . . . . 1.0 112.11 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -66.13 -17.34 64.65 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.499 0.925 . . . . 1.0 113.499 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -102.61 -2.87 27.57 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.315 1.446 . . . . 1.0 112.905 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -71.55 133.56 45.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.635 1.174 . . . . 1.0 112.846 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -55.02 -31.36 61.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.379 1.472 . . . . 1.0 112.803 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -39.25 82.56 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.643 1.177 . . . . 1.0 112.097 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -61.27 -43.14 99.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.101 0.96 . . . . 1.0 111.001 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.98 81.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.755 0.707 . . . . 1.0 111.994 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -62.78 -47.1 84.95 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.107 0.563 . . . . 1.0 111.752 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -65.52 -40.83 93.4 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.734 0.642 . . . . 1.0 112.734 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 N--CA 1.475 0.821 0 CA-C-N 118.589 0.631 . . . . 1.0 110.437 175.54 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 114.353 1.242 . . . . 1.0 114.353 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -123.2 -32.31 3.46 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.649 1.179 . . . . 1.0 113.498 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.2 m -139.0 158.45 44.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.911 0.884 . . . . 1.0 112.656 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.2 t -133.93 99.29 13.88 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.94 1.696 . . . . 1.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -70.87 -20.34 29.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.909 2.406 . . . . 1.0 113.294 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.28 -37.17 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.03 1.332 . . . . 1.0 111.163 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.5 m -111.01 -11.33 14.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.961 1.704 . . . . 1.0 113.722 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.9 t30 58.82 57.2 3.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.102 2.561 . . . . 1.0 111.963 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.9 mtm -135.61 170.61 15.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.676 1.59 . . . . 1.0 112.602 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.2 p -131.07 161.08 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.8 1.64 . . . . 1.0 111.769 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.23 147.06 52.55 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.714 1.605 . . . . 1.0 112.259 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 p -76.05 -21.25 56.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 157.32 23.13 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 125.623 1.569 . . . . 1.0 111.949 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.06 -36.62 66.18 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.975 3.117 . . . . 1.0 114.938 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.42 -37.2 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.601 0.76 . . . . 1.0 111.27 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 -39.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.908 0.883 . . . . 1.0 110.107 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.11 74.65 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.22 0.608 . . . . 1.0 110.752 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -43.03 91.74 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.665 0.786 . . . . 1.0 111.585 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.0 m -61.76 -38.08 86.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.889 0.876 . . . . 1.0 111.979 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.29 -48.27 68.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.557 0.743 . . . . 1.0 111.343 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.56 -31.22 67.79 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.365 1.246 . . . . 1.0 114.365 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -89.58 -3.13 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 113.358 0.873 . . . . 1.0 113.358 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.31 160.64 22.14 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.924 1.25 . . . . 1.0 114.066 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -59.54 -30.51 68.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -55.28 -44.09 75.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.287 1.035 . . . . 1.0 111.987 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -68.86 -45.31 71.39 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.826 -0.546 . . . . 1.0 111.227 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.82 -43.88 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.019 1.328 . . . . 1.0 112.205 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -59.96 -40.97 90.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.685 0.794 . . . . 1.0 111.355 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 118.141 -0.933 . . . . 1.0 112.802 176.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 CA-C-O 121.227 0.348 . . . . 1.0 113.741 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -55.8 -38.34 69.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.544 1.138 . . . . 1.0 113.273 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -61.63 -44.91 96.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.585 0.754 . . . . 1.0 112.325 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.07 76.64 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.114 0.565 . . . . 1.0 111.302 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.52 -44.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.004 0.522 . . . . 1.0 110.872 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.24 -47.82 84.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.626 -0.671 . . . . 1.0 110.809 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.67 0.668 . . . . 1.0 111.79 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.94 -40.69 85.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.418 1.087 . . . . 1.0 111.493 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.84 -48.39 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.033 0.933 . . . . 1.0 110.258 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -62.2 -40.79 97.24 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.477 1.035 . . . . 1.0 113.199 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.8 -15.09 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -134.35 36.99 3.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.146 1.378 . . . . 1.0 112.523 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.3 p -52.97 -20.18 3.21 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.737 1.754 . . . . 1.0 115.737 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -75.86 -20.51 58.04 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.73 1.612 . . . . 1.0 113.841 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.14 -19.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.021 1.489 . . . . 1.0 115.021 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -124.56 142.17 51.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.269 1.427 . . . . 1.0 109.301 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 p -145.82 172.74 12.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.472 1.109 . . . . 1.0 111.31 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.18 -11.77 44.07 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.469 0.914 . . . . 1.0 113.469 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.81 -1.15 3.07 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.656 1.724 . . . . 1.0 115.656 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -161.13 146.49 14.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.735 1.607 . . . . 1.0 113.493 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -117.35 114.44 23.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.876 1.271 . . . . 1.0 108.189 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -76.89 -31.57 56.84 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.71 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.227 0.611 . . . . 1.0 110.756 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.2 m -98.7 6.43 46.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.554 1.541 . . . . 1.0 112.724 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m 36.98 55.07 1.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 128.24 2.616 . . . . 1.0 113.276 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.98 143.02 42.59 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.403 1.081 . . . . 1.0 113.408 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.92 148.51 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.049 1.34 . . . . 1.0 109.511 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -126.68 71.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.487 2.315 . . . . 1.0 108.741 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -50.75 -21.6 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 116.907 2.188 . . . . 1.0 116.907 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -144.62 157.43 44.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.372 1.469 . . . . 1.0 110.948 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.85 -35.5 68.93 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.268 0.627 . . . . 1.0 112.388 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.37 -38.46 77.32 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.302 -0.874 . . . . 1.0 112.481 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -69.64 -42.7 73.94 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.719 0.807 . . . . 1.0 110.087 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.71 -47.48 85.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 1.0 110.963 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.02 -41.07 95.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.292 1.037 . . . . 1.0 111.819 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.6 -47.1 61.87 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.961 0.801 . . . . 1.0 112.786 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -61.55 -51.1 70.0 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.997 0.919 . . . . 1.0 112.762 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -68.13 -21.57 64.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -89.66 -15.84 31.76 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.038 0.835 . . . . 1.0 112.727 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 140.4 58.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 1.0 113.803 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.4 -32.6 74.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.833 0.853 . . . . 1.0 111.613 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.35 -42.22 96.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.985 0.914 . . . . 1.0 111.448 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -60.05 -48.93 79.66 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.142 0.577 . . . . 1.0 110.498 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.44 89.26 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.226 0.466 . . . . 1.0 112.167 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.21 -45.41 94.68 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.68 -0.637 . . . . 1.0 111.091 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.68 -43.3 99.12 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.211 1.004 . . . . 1.0 111.348 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 N--CA 1.475 0.784 0 C-N-CA 123.995 0.918 . . . . 1.0 110.691 175.815 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.201 0.815 . . . . 1.0 113.201 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -134.74 -17.83 1.92 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.543 1.537 . . . . 1.0 114.192 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -142.43 159.05 42.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.502 1.521 . . . . 1.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -136.15 89.76 19.45 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.713 2.005 . . . . 1.0 108.684 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.13 -23.45 60.38 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.667 2.245 . . . . 1.0 113.339 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.05 -35.87 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.29 1.036 . . . . 1.0 110.96 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.8 m -109.3 -4.68 16.26 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.778 1.631 . . . . 1.0 113.975 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.06 59.39 4.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.769 2.828 . . . . 1.0 112.794 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.7 ptm -149.17 171.56 16.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.456 1.502 . . . . 1.0 112.948 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -128.45 168.79 15.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.111 1.764 . . . . 1.0 112.777 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -130.9 147.0 52.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.612 1.165 . . . . 1.0 113.328 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 p -69.07 -37.93 78.76 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 1.0 113.305 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 m -141.23 155.07 68.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 125.751 1.62 . . . . 1.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.46 -28.84 78.26 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.361 2.707 . . . . 1.0 114.178 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.97 -37.23 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 1.0 110.805 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.52 -42.91 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.846 0.858 . . . . 1.0 109.988 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.44 73.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.847 0.859 . . . . 1.0 112.913 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -39.24 93.52 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.42 -0.8 . . . . 1.0 112.109 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.6 m -64.19 -38.67 91.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.856 0.862 . . . . 1.0 112.139 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -61.92 -49.67 75.24 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.608 -0.683 . . . . 1.0 111.641 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -56.21 -14.7 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.27 6.17 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.099 1.36 . . . . 1.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.72 159.48 19.06 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.211 1.386 . . . . 1.0 113.766 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.02 -36.11 67.61 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.226 1.195 . . . . 1.0 114.226 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -56.13 -41.7 75.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.981 0.913 . . . . 1.0 111.807 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.19 -44.29 68.99 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.449 0.7 . . . . 1.0 110.968 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.22 -38.55 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.271 1.029 . . . . 1.0 111.982 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -59.05 -36.2 74.64 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.27 -0.894 . . . . 1.0 110.995 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 118.219 -0.896 . . . . 1.0 111.467 174.742 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.212 0 CA-C-O 121.94 0.745 . . . . 1.0 114.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.53 -38.59 87.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.489 0.716 . . . . 1.0 112.652 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -58.18 -46.18 86.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.722 1.209 . . . . 1.0 113.249 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.79 85.28 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.84 -0.538 . . . . 1.0 111.562 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.2 -43.49 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.098 0.559 . . . . 1.0 110.688 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.87 -44.17 94.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.783 0.833 . . . . 1.0 111.085 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.32 -44.08 92.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.338 0.655 . . . . 1.0 111.231 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.19 -42.54 91.1 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.331 1.452 . . . . 1.0 111.47 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.8 -49.67 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.798 0.839 . . . . 1.0 109.725 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.76 -46.62 84.27 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.336 1.454 . . . . 1.0 113.364 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.74 -15.47 63.15 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.455 1.102 . . . . 1.0 113.664 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -130.99 36.04 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.404 1.482 . . . . 1.0 112.385 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -54.12 -19.1 4.44 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.633 1.716 . . . . 1.0 115.633 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -75.38 -19.22 59.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.672 1.589 . . . . 1.0 113.648 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.7 pt -130.77 -19.33 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.0 1.481 . . . . 1.0 115.0 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -123.94 150.2 45.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.044 1.338 . . . . 1.0 109.965 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -149.01 173.51 13.28 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.034 0.933 . . . . 1.0 111.959 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -17.4 56.65 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.978 1.311 . . . . 1.0 113.503 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -135.87 0.32 2.65 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.804 1.779 . . . . 1.0 115.804 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -159.22 146.49 17.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.909 1.686 . . . . 1.0 113.539 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -117.75 115.45 25.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.986 1.314 . . . . 1.0 109.807 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.52 -37.9 65.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.285 0.846 . . . . 1.0 113.285 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.95 -40.85 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.462 1.105 . . . . 1.0 111.722 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.41 7.25 44.36 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.946 1.298 . . . . 1.0 112.022 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 p 34.1 52.49 0.48 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.327 3.051 . . . . 1.0 114.19 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.23 149.57 47.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.82 1.248 . . . . 1.0 113.516 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.89 148.05 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.222 1.409 . . . . 1.0 109.677 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.8 mt -122.55 75.04 1.22 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.631 2.372 . . . . 1.0 107.879 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 pt -51.66 -19.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 117.192 2.293 . . . . 1.0 117.192 -173.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 t -154.16 164.12 39.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.817 1.247 . . . . 1.0 111.04 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.5 -38.06 74.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.798 0.839 . . . . 1.0 112.766 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 p -61.58 -39.54 91.54 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.807 1.185 . . . . 1.0 112.335 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -67.92 -43.81 78.32 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.858 -0.526 . . . . 1.0 110.316 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -59.3 -47.76 84.16 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.594 0.634 . . . . 1.0 111.324 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.32 -54.07 50.09 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.375 1.07 . . . . 1.0 110.492 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.39 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.402 0.89 . . . . 1.0 113.402 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -66.25 -51.36 58.31 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.801 -0.562 . . . . 1.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.22 -26.52 63.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -69.09 -27.94 66.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.897 1.073 . . . . 1.0 113.897 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -75.51 147.46 39.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -27.52 68.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.816 1.646 . . . . 1.0 111.817 174.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.66 -43.19 94.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.083 1.353 . . . . 1.0 111.222 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -60.21 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.17 0.588 . . . . 1.0 110.29 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.94 73.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.608 0.596 . . . . 1.0 112.608 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.64 -42.51 82.15 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.202 -0.936 . . . . 1.0 111.152 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.55 -36.67 84.49 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.5 -0.75 . . . . 1.0 110.952 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 N--CA 1.479 0.985 0 CA-C-N 119.227 0.921 . . . . 1.0 109.988 173.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 116.029 1.862 . . . . 1.0 116.029 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.23 -15.63 4.12 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.549 1.685 . . . . 1.0 115.549 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.9 t -145.15 157.04 44.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.965 1.306 . . . . 1.0 111.769 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -140.58 88.02 11.21 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.267 1.427 . . . . 1.0 110.908 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.63 -27.19 82.12 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.59 2.86 . . . . 1.0 113.973 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.41 -28.14 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.886 1.674 . . . . 1.0 112.075 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.25 -8.68 9.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.976 1.711 . . . . 1.0 113.485 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.11 57.94 3.78 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 128.911 2.884 . . . . 1.0 111.602 -176.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.5 mtm -137.01 169.13 18.3 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.306 1.442 . . . . 1.0 112.946 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 39.6 p -132.02 161.07 34.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.478 1.911 . . . . 1.0 110.824 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -131.12 142.49 50.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.973 0.909 . . . . 1.0 112.635 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -80.08 -10.77 59.79 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.259 1.424 . . . . 1.0 114.37 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 t -151.09 145.57 18.23 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 125.563 1.545 . . . . 1.0 111.111 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -64.69 -26.21 61.06 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.776 2.317 . . . . 1.0 112.501 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -66.23 -39.52 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.445 0.698 . . . . 1.0 110.449 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.67 -43.91 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.809 0.843 . . . . 1.0 109.914 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.01 74.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.409 0.684 . . . . 1.0 111.715 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.63 -42.26 87.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.829 0.851 . . . . 1.0 111.752 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 t -64.92 -43.31 93.21 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.554 0.742 . . . . 1.0 111.286 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -61.96 -48.85 78.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.996 0.919 . . . . 1.0 112.864 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -56.92 -17.38 9.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.009 1.485 . . . . 1.0 115.009 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -113.71 3.69 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.056 1.343 . . . . 1.0 113.469 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.03 158.04 24.61 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.585 1.088 . . . . 1.0 113.496 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.55 -30.54 68.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.63 0.974 . . . . 1.0 113.63 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.9 m -59.36 -42.54 91.84 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.248 1.019 . . . . 1.0 111.53 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -65.47 -44.09 88.23 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.529 0.731 . . . . 1.0 110.982 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.74 -41.69 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.828 1.251 . . . . 1.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.64 -39.69 85.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.178 0.991 . . . . 1.0 111.411 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 . . . . . 0 CA--C 1.546 0.804 0 CA-C-O 118.643 -0.694 . . . . 1.0 112.697 176.645 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.161 0 CA-C-O 121.045 0.247 . . . . 1.0 113.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -56.22 -43.4 78.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.086 1.354 . . . . 1.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.88 -43.81 87.22 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.036 0.934 . . . . 1.0 112.085 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.76 98.12 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.312 0.486 . . . . 1.0 112.312 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.5 t -65.89 -46.75 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.816 0.735 . . . . 1.0 111.232 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -65.59 -37.51 86.86 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.668 -0.645 . . . . 1.0 111.817 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -65.52 -44.07 88.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.165 0.586 . . . . 1.0 111.408 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.13 -42.27 98.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.846 0.858 . . . . 1.0 111.384 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.89 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.841 0.857 . . . . 1.0 109.997 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -59.19 -44.43 92.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.397 1.079 . . . . 1.0 113.17 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.63 -14.2 61.54 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.142 1.164 . . . . 1.0 114.142 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -134.5 39.25 3.05 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.052 1.341 . . . . 1.0 112.524 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.6 p -53.38 -18.57 2.68 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.543 1.682 . . . . 1.0 115.543 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.51 -21.18 56.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.755 1.622 . . . . 1.0 113.894 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.85 -19.54 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 114.983 1.475 . . . . 1.0 114.983 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -123.95 149.08 46.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.335 1.454 . . . . 1.0 109.377 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -151.85 169.49 22.14 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.109 0.964 . . . . 1.0 111.791 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.89 -19.3 50.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.766 1.227 . . . . 1.0 113.958 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.8 p -133.64 3.39 3.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.786 1.772 . . . . 1.0 115.786 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.84 145.86 10.87 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.643 1.565 . . . . 1.0 113.472 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -117.26 116.47 27.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.415 1.486 . . . . 1.0 109.259 173.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -76.96 -33.19 57.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.713 1.005 . . . . 1.0 113.713 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.11 -40.54 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.148 0.886 . . . . 1.0 110.588 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -98.99 6.6 46.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.704 1.202 . . . . 1.0 112.619 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m 36.84 55.63 1.19 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.387 2.675 . . . . 1.0 113.432 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.16 143.2 42.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.283 1.033 . . . . 1.0 113.465 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.89 146.98 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.982 1.313 . . . . 1.0 109.488 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -124.37 75.17 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.406 2.282 . . . . 1.0 108.855 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 pt -53.29 -15.75 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -155.51 160.43 40.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.055 1.342 . . . . 1.0 110.829 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.65 -34.69 69.62 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.95 0.9 . . . . 1.0 112.376 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -62.5 -41.49 98.86 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 1.0 111.904 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.42 -41.73 79.95 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.613 0.765 . . . . 1.0 110.431 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -60.21 -47.64 85.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.405 0.682 . . . . 1.0 110.642 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.6 -44.66 96.01 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.717 1.207 . . . . 1.0 111.476 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.91 86.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.78 0.718 . . . . 1.0 112.185 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.88 -51.29 62.8 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.49 0.552 . . . . 1.0 112.49 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -68.45 -27.75 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.837 1.051 . . . . 1.0 113.837 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -82.86 -15.04 53.09 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.499 1.045 . . . . 1.0 112.825 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -64.45 138.85 58.64 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.712 1.004 . . . . 1.0 113.712 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -62.44 -32.64 73.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.94 0.896 . . . . 1.0 111.484 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -61.89 -45.27 94.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.191 0.996 . . . . 1.0 111.212 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -63.76 -49.66 72.12 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.473 0.709 . . . . 1.0 110.653 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.51 91.81 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.49 -47.03 85.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.616 0.767 . . . . 1.0 111.093 176.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.47 -41.19 96.86 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.341 0.519 . . . . 1.0 111.611 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.675 0.79 . . . . 1.0 111.118 176.099 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 115.821 1.785 . . . . 1.0 115.821 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -135.5 -14.18 1.96 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.983 1.713 . . . . 1.0 114.713 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.4 p -150.03 162.81 39.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.81 1.411 . . . . 1.0 114.81 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.9 t -146.16 95.22 4.78 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.107 1.763 . . . . 1.0 110.307 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.28 -25.0 31.23 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.756 2.304 . . . . 1.0 113.293 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.81 -28.2 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.818 1.247 . . . . 1.0 111.52 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -121.27 1.3 10.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.428 1.891 . . . . 1.0 114.364 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.29 9.1 p30 45.95 54.16 8.3 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 129.087 2.955 . . . . 1.0 113.893 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.48 168.34 18.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.454 1.501 . . . . 1.0 112.884 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -130.96 160.26 35.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.455 1.902 . . . . 1.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -131.19 144.72 51.56 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.962 1.305 . . . . 1.0 111.794 -176.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 p -72.27 -35.19 68.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 m -144.79 156.63 55.74 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.219 1.407 . . . . 1.0 112.305 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.56 -41.58 44.35 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.991 3.127 . . . . 1.0 115.22 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.1 t -63.56 -34.24 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.567 -0.708 . . . . 1.0 112.029 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.76 -40.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.639 0.776 . . . . 1.0 109.69 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.66 77.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.049 0.54 . . . . 1.0 110.802 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.44 -43.06 88.62 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.584 -0.698 . . . . 1.0 111.123 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.9 m -59.78 -35.94 75.68 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.881 0.872 . . . . 1.0 112.127 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.1 -50.32 29.08 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.231 0.469 . . . . 1.0 111.122 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -60.7 -38.91 86.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.109 1.151 . . . . 1.0 114.109 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -81.34 -16.2 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.077 0.853 . . . . 1.0 113.214 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.97 161.78 33.42 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.524 1.059 . . . . 1.0 113.857 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.91 -21.09 66.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.977 1.102 . . . . 1.0 113.977 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 m -55.01 -44.06 74.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.57 1.148 . . . . 1.0 111.522 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -70.37 -44.91 67.1 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.592 0.757 . . . . 1.0 111.766 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.99 -34.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.179 1.392 . . . . 1.0 112.235 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.01 -43.47 77.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 1.0 110.318 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.535 0.404 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.563 175.345 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.097 0 CA-C-O 120.801 0.112 . . . . 1.0 113.053 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.86 -41.44 74.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.762 1.225 . . . . 1.0 113.077 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.897 0.879 . . . . 1.0 112.113 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.82 80.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 1.0 111.075 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.31 -45.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.019 0.528 . . . . 1.0 110.531 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -58.99 -45.3 90.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.498 0.719 . . . . 1.0 111.417 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.1 m -64.19 -43.38 95.25 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.421 0.689 . . . . 1.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.1 -43.89 91.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.476 1.11 . . . . 1.0 111.402 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.89 -48.7 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.109 0.963 . . . . 1.0 110.049 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.04 -47.4 81.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.019 1.327 . . . . 1.0 112.643 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -15.87 62.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.526 1.13 . . . . 1.0 114.044 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -132.34 39.85 3.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.568 1.147 . . . . 1.0 113.769 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -54.16 -19.1 4.52 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.441 1.645 . . . . 1.0 115.441 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -77.77 -15.2 59.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.459 1.904 . . . . 1.0 114.135 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.3 pt -135.14 -20.86 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.631 1.345 . . . . 1.0 114.631 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -124.28 148.34 47.47 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.417 1.487 . . . . 1.0 109.283 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.8 p -152.11 171.81 17.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.858 0.837 . . . . 1.0 112.488 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.61 -20.28 60.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.108 1.363 . . . . 1.0 114.266 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -134.7 2.55 3.19 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.673 1.731 . . . . 1.0 115.673 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -161.83 146.2 12.76 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.481 1.491 . . . . 1.0 113.198 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.9 t -117.29 114.92 24.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.981 1.312 . . . . 1.0 109.361 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.58 -38.9 65.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.321 1.448 . . . . 1.0 114.034 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.26 -40.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 118.868 0.758 . . . . 1.0 111.091 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -97.23 0.86 48.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.971 1.308 . . . . 1.0 112.592 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m 37.37 55.73 1.38 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.487 2.715 . . . . 1.0 112.829 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.05 144.5 43.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.918 1.287 . . . . 1.0 112.901 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.84 146.69 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.939 1.296 . . . . 1.0 109.961 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.91 72.3 1.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.544 2.338 . . . . 1.0 108.579 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 pt -51.84 -21.79 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 117.133 2.272 . . . . 1.0 117.133 -174.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -145.62 157.32 43.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.295 1.438 . . . . 1.0 111.157 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.94 -40.49 76.5 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.466 -0.771 . . . . 1.0 112.438 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -60.64 -39.77 89.54 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.278 0.945 . . . . 1.0 111.988 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -66.11 -41.99 89.81 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.238 1.015 . . . . 1.0 110.665 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -61.76 -47.79 83.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.61 0.764 . . . . 1.0 110.537 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.15 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.292 1.037 . . . . 1.0 111.571 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.62 76.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.596 0.634 . . . . 1.0 112.073 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -61.54 -51.58 68.02 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.592 0.633 . . . . 1.0 112.593 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -65.6 -29.14 69.69 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.443 0.905 . . . . 1.0 113.443 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.92 -9.48 53.52 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.793 1.035 . . . . 1.0 113.793 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 m -74.63 141.56 44.64 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.12 -0.987 . . . . 1.0 112.339 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -57.09 -32.92 66.77 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.245 1.018 . . . . 1.0 113.221 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -59.94 -39.87 87.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.675 1.19 . . . . 1.0 112.179 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -66.17 -48.99 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.514 0.726 . . . . 1.0 110.245 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.18 85.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.048 0.539 . . . . 1.0 111.997 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.41 -47.34 86.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.415 0.686 . . . . 1.0 111.428 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.43 -38.48 91.18 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.905 -0.569 . . . . 1.0 112.431 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 N--CA 1.477 0.881 0 CA-C-N 119.164 0.893 . . . . 1.0 110.56 174.578 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.963 0.727 . . . . 1.0 112.963 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.04 -15.06 20.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.949 1.299 . . . . 1.0 111.888 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -150.53 172.36 15.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.665 1.986 . . . . 1.0 112.228 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -136.54 102.11 9.69 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.672 1.989 . . . . 1.0 108.609 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.35 -19.11 25.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.064 2.509 . . . . 1.0 114.247 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.67 -41.73 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.161 0.891 . . . . 1.0 110.286 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.08 -12.33 20.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.003 1.321 . . . . 1.0 113.34 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.85 59.54 3.13 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.27 2.628 . . . . 1.0 112.022 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtm -133.58 167.73 19.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.545 1.538 . . . . 1.0 112.545 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.4 p -122.82 157.53 32.26 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.178 1.791 . . . . 1.0 111.782 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.27 147.15 52.55 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.192 1.397 . . . . 1.0 112.944 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.1 p -81.04 -15.28 56.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.668 1.187 . . . . 1.0 113.809 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -157.49 147.87 15.93 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.998 1.719 . . . . 1.0 111.192 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.01 -21.61 73.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.111 2.54 . . . . 1.0 112.841 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.88 -38.11 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.421 -0.799 . . . . 1.0 109.939 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 t -65.22 -41.78 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.756 0.822 . . . . 1.0 110.248 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.34 78.03 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.288 0.635 . . . . 1.0 111.203 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.31 -43.39 92.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.408 0.683 . . . . 1.0 112.177 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.2 m -67.46 -38.48 84.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.23 0.612 . . . . 1.0 112.057 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.44 -47.29 84.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.343 1.057 . . . . 1.0 112.043 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.63 -22.05 63.38 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.833 1.419 . . . . 1.0 114.833 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.3 pt -101.11 3.6 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.343 1.057 . . . . 1.0 112.952 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.49 155.72 18.95 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.269 1.414 . . . . 1.0 112.86 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.89 -30.96 64.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.101 1.149 . . . . 1.0 114.101 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.0 m -56.83 -44.29 81.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.077 0.951 . . . . 1.0 112.153 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.17 -43.43 70.85 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.679 -0.638 . . . . 1.0 111.343 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.67 -42.28 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.904 1.281 . . . . 1.0 111.202 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.29 -44.56 92.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.238 1.015 . . . . 1.0 110.613 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 117.986 -1.007 . . . . 1.0 113.1 177.775 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 113.599 0.963 . . . . 1.0 113.599 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -132.59 10.8 4.4 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.829 1.652 . . . . 1.0 112.848 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.8 167.64 23.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.854 1.662 . . . . 1.0 112.134 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -135.75 -5.16 2.21 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.91 2.084 . . . . 1.0 112.397 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -155.83 -177.48 29.09 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.384 1.468 . . . . 1.0 113.469 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -153.45 167.67 28.68 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.26 1.424 . . . . 1.0 111.242 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.67 178.7 42.06 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.729 1.157 . . . . 1.0 113.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -144.25 141.71 30.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.459 1.104 . . . . 1.0 112.475 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.61 165.26 36.77 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.643 1.977 . . . . 1.0 110.587 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -150.61 126.69 10.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.923 0.889 . . . . 1.0 111.874 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -138.53 14.22 2.75 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.233 1.813 . . . . 1.0 112.803 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.25 161.26 79.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 127.356 2.262 . . . . 1.0 112.888 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.67 154.42 74.51 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.612 2.208 . . . . 1.0 110.612 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.0 t -136.69 109.91 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.559 1.143 . . . . 1.0 109.442 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.97 165.48 40.75 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.003 1.287 . . . . 1.0 114.311 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.94 -39.87 72.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.21 1.404 . . . . 1.0 114.092 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.34 -44.03 97.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.322 0.649 . . . . 1.0 111.984 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.79 80.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.034 0.534 . . . . 1.0 111.458 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.29 0.495 . . . . 1.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.17 -43.15 99.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.966 0.803 . . . . 1.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 m -62.55 -44.32 96.63 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.858 -0.526 . . . . 1.0 111.347 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.44 -41.6 94.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.713 1.205 . . . . 1.0 111.748 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.9 -50.09 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.09 0.956 . . . . 1.0 110.045 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.85 -42.45 99.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.697 0.799 . . . . 1.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.73 -13.79 62.2 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.779 1.029 . . . . 1.0 113.779 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -133.06 37.01 3.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.342 1.457 . . . . 1.0 112.177 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -52.95 -19.5 2.65 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.574 1.694 . . . . 1.0 115.574 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -75.81 -21.09 57.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.681 1.593 . . . . 1.0 113.746 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.4 pt -130.93 -19.94 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.147 1.536 . . . . 1.0 115.147 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -123.12 149.6 44.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.567 1.547 . . . . 1.0 109.444 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -151.3 169.6 21.56 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.267 1.027 . . . . 1.0 111.633 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.38 -15.14 23.24 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.983 1.313 . . . . 1.0 114.187 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -143.2 10.47 1.71 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -162.26 142.81 10.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 119.921 -1.737 . . . . 1.0 112.693 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.05 114.67 24.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 1.0 108.542 173.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -73.79 -36.1 64.98 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.585 0.754 . . . . 1.0 112.964 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.1 t -55.66 -43.35 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.973 0.909 . . . . 1.0 111.142 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -97.05 2.67 51.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.289 1.436 . . . . 1.0 112.649 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 38.5 55.63 1.85 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.21 2.604 . . . . 1.0 112.601 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.54 143.32 43.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.791 1.236 . . . . 1.0 112.826 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.39 148.56 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.821 1.248 . . . . 1.0 109.561 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.0 mt -125.33 72.49 1.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.812 2.445 . . . . 1.0 108.414 -175.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -14.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 116.896 2.184 . . . . 1.0 116.896 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -152.68 158.57 42.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.07 1.348 . . . . 1.0 110.879 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -57.19 -35.66 69.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.112 0.965 . . . . 1.0 112.523 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -62.09 -39.67 93.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.834 1.197 . . . . 1.0 112.165 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -69.12 -41.21 77.67 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.674 -0.641 . . . . 1.0 110.41 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -59.96 -47.6 85.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.963 0.801 . . . . 1.0 111.121 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.38 -41.67 98.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.951 1.3 . . . . 1.0 111.459 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.17 71.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.618 0.645 . . . . 1.0 112.3 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.11 -51.31 67.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.703 0.683 . . . . 1.0 112.445 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -66.49 -19.25 65.74 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -100.21 -5.49 27.57 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.636 1.174 . . . . 1.0 112.565 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 t -67.26 142.75 56.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.46 1.104 . . . . 1.0 112.99 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.8 mmt-85 -65.01 -32.36 74.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.855 0.862 . . . . 1.0 111.234 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -65.3 -45.29 84.97 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.032 0.933 . . . . 1.0 110.96 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.015 0.926 . . . . 1.0 110.912 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.29 86.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.765 0.654 . . . . 1.0 112.765 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -63.92 -43.58 95.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.722 -0.611 . . . . 1.0 110.879 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -60.35 -43.81 96.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.689 0.796 . . . . 1.0 111.368 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.92 -44.13 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.288 1.035 . . . . 1.0 110.782 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.0 ttp-105 -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.373 0.988 . . . . 1.0 111.822 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -65.67 -48.37 72.32 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.86 0.864 . . . . 1.0 111.02 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.81 -46.25 84.95 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.879 0.872 . . . . 1.0 112.038 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.3 mmt -59.86 -38.6 82.58 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.861 0.864 . . . . 1.0 112.099 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.45 -38.3 81.0 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.272 0.629 . . . . 1.0 112.061 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.71 -37.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.979 1.312 . . . . 1.0 111.143 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.32 47.31 0.12 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.419 2.288 . . . . 1.0 114.103 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -132.69 0.02 3.54 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.012 1.725 . . . . 1.0 113.54 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.87 -179.71 48.8 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.792 1.187 . . . . 1.0 113.324 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -151.76 156.71 40.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.995 1.318 . . . . 1.0 111.531 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.24 -179.92 3.59 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.399 1.48 . . . . 1.0 112.63 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -65.71 141.23 58.42 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.634 -1.292 . . . . 1.0 112.611 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -139.16 138.66 21.22 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 126.354 1.862 . . . . 1.0 108.381 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -64.38 -11.71 29.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.189 2.592 . . . . 1.0 116.232 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.83 36.75 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 128.285 2.634 . . . . 1.0 114.982 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -52.86 -44.47 66.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.94 2.496 . . . . 1.0 114.631 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -146.48 162.72 37.68 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.683 1.993 . . . . 1.0 111.472 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -154.92 155.93 35.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.318 1.447 . . . . 1.0 111.922 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -155.61 -35.58 0.09 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.235 1.414 . . . . 1.0 114.505 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.56 164.48 34.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 1.0 111.608 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.58 153.34 65.18 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 125.222 1.409 . . . . 1.0 111.902 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.54 -7.22 19.29 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 124.241 3.294 . . . . 1.0 114.222 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.95 158.46 43.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.682 1.593 . . . . 1.0 111.722 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -95.86 3.01 54.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.4 mm -56.88 122.29 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.987 0.915 . . . . 1.0 110.676 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 m -136.83 -5.5 1.93 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.409 1.263 . . . . 1.0 114.409 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -136.93 15.09 3.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.603 1.561 . . . . 1.0 112.912 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.35 -177.96 50.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.877 1.227 . . . . 1.0 114.451 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -126.66 12.99 7.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.423 1.489 . . . . 1.0 112.437 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -69.88 151.13 46.03 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.4 1.48 . . . . 1.0 113.177 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -58.26 -27.52 64.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.768 1.227 . . . . 1.0 113.209 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p -72.81 -7.8 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.658 1.183 . . . . 1.0 114.19 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -129.76 -23.05 2.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.738 1.384 . . . . 1.0 114.738 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.79 163.94 37.42 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.27 1.395 . . . . 1.0 114.501 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -136.22 108.15 9.56 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 125.204 1.402 . . . . 1.0 110.493 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.22 -19.46 25.85 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.144 2.562 . . . . 1.0 114.236 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.5 -41.58 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.272 0.942 . . . . 1.0 109.968 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 57.2 m -95.59 -16.7 21.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.957 1.303 . . . . 1.0 113.36 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.79 56.23 4.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.762 2.425 . . . . 1.0 111.346 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.8 mtm -135.13 167.19 21.43 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.572 1.549 . . . . 1.0 112.723 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.4 p -126.65 159.28 34.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.301 1.84 . . . . 1.0 111.262 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -131.11 144.96 51.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.356 1.462 . . . . 1.0 111.107 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.5 p -69.2 -39.64 78.51 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.302 1.223 . . . . 1.0 114.302 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.3 t -139.77 149.38 59.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.596 1.558 . . . . 1.0 111.959 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.39 -37.75 25.73 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 124.094 3.196 . . . . 1.0 114.856 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.29 -35.65 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 119.106 0.866 . . . . 1.0 112.039 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.08 -41.51 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.779 0.831 . . . . 1.0 109.689 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.72 91.01 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.188 0.595 . . . . 1.0 111.529 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.44 -43.29 93.16 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.542 -0.724 . . . . 1.0 110.609 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.4 m -63.45 -40.01 96.0 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.111 0.964 . . . . 1.0 111.802 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.44 -50.54 69.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.713 0.805 . . . . 1.0 111.683 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -61.17 -14.79 27.63 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.2 1.555 . . . . 1.0 115.2 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.74 1.53 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.933 1.293 . . . . 1.0 113.334 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.08 170.02 14.84 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.879 1.228 . . . . 1.0 114.635 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.62 -29.99 64.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.554 1.141 . . . . 1.0 113.943 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.5 m -53.21 -44.18 67.81 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.403 1.081 . . . . 1.0 111.889 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.49 -46.04 64.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.047 0.539 . . . . 1.0 111.545 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.86 -40.59 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.841 1.257 . . . . 1.0 112.462 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -57.95 -36.88 73.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.236 1.014 . . . . 1.0 111.103 174.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -78.8 -29.89 45.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 118.09 -0.957 . . . . 1.0 112.724 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.72 -49.95 71.66 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.479 1.49 . . . . 1.0 109.495 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.59 -35.56 80.92 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.611 1.164 . . . . 1.0 112.256 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -49.8 73.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.549 0.74 . . . . 1.0 110.92 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -68.12 -37.94 81.67 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.484 0.714 . . . . 1.0 112.255 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.02 -36.75 85.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.764 1.625 . . . . 1.0 112.53 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--O 1.239 0.502 0 C-N-CA 125.978 1.711 . . . . 1.0 110.243 -179.581 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.035 0 N-CA-C 114.541 1.311 . . . . 1.0 114.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.7 -17.91 61.5 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.667 1.587 . . . . 1.0 114.727 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -144.15 147.49 33.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.02 1.328 . . . . 1.0 112.511 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -152.2 30.72 0.55 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.745 1.218 . . . . 1.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.9 0.42 48.35 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.901 1.238 . . . . 1.0 114.733 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -74.25 166.25 23.78 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.066 1.347 . . . . 1.0 112.379 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.81 -27.94 45.5 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 116.06 1.184 . . . . 1.0 116.06 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -79.29 -6.08 55.9 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.38 139.03 54.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.142 0.977 . . . . 1.0 112.394 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -159.11 137.93 11.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.474 1.51 . . . . 1.0 110.544 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -122.82 7.05 9.35 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.466 1.506 . . . . 1.0 113.038 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -77.41 156.93 80.94 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.544 1.938 . . . . 1.0 112.829 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.34 167.05 23.34 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.62 2.88 . . . . 1.0 111.131 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.08 22.76 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 122.386 1.088 . . . . 1.0 113.68 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.75 167.13 32.29 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.299 1.428 . . . . 1.0 112.773 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -56.07 -37.5 69.38 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.4 -44.89 95.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.339 0.655 . . . . 1.0 111.664 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.55 80.25 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.148 0.579 . . . . 1.0 111.332 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.78 -43.08 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.353 0.661 . . . . 1.0 110.68 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.93 -47.18 86.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.792 0.837 . . . . 1.0 111.353 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.6 m -63.97 -42.03 97.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.226 0.466 . . . . 1.0 111.643 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.97 -43.23 95.23 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.388 1.075 . . . . 1.0 111.375 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.13 -47.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.063 0.945 . . . . 1.0 110.007 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.33 -47.13 84.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.254 1.021 . . . . 1.0 112.496 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.14 -14.11 61.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -131.42 35.24 3.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.252 1.421 . . . . 1.0 112.622 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -53.43 -22.45 7.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.128 1.529 . . . . 1.0 115.128 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -74.01 -12.68 60.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.078 1.751 . . . . 1.0 113.936 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.33 -24.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.041 1.497 . . . . 1.0 115.041 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -120.18 150.74 40.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.989 1.316 . . . . 1.0 110.042 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.8 p -154.06 169.1 24.32 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.395 1.078 . . . . 1.0 112.022 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.09 -19.34 43.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.228 1.411 . . . . 1.0 114.085 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.6 p -134.68 3.08 3.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.893 1.812 . . . . 1.0 115.893 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -161.96 144.84 11.79 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 1.0 113.327 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.14 114.91 24.38 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.163 1.385 . . . . 1.0 109.115 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -78.78 -32.04 46.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.7 -32.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 118.996 0.816 . . . . 1.0 111.269 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -108.45 9.12 27.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.017 1.327 . . . . 1.0 112.568 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m 34.96 55.45 0.74 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.427 2.691 . . . . 1.0 113.804 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.09 144.76 43.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.364 1.066 . . . . 1.0 113.287 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 t -91.21 148.48 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.8 1.24 . . . . 1.0 109.228 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 mt -130.35 67.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.459 2.304 . . . . 1.0 108.574 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 pt -63.33 -9.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -137.64 150.13 47.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.265 1.426 . . . . 1.0 110.951 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.13 -37.95 75.6 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.675 -0.641 . . . . 1.0 112.268 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.2 p -60.07 -40.28 89.0 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.341 -0.849 . . . . 1.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.89 -45.09 87.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.086 0.554 . . . . 1.0 110.286 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -61.22 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.293 0.637 . . . . 1.0 111.448 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.45 -42.73 98.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.947 0.899 . . . . 1.0 111.877 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.71 -42.09 74.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.305 0.957 . . . . 1.0 112.176 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.92 -51.54 63.99 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.765 -0.584 . . . . 1.0 112.165 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -68.11 -17.9 64.5 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.162 1.171 . . . . 1.0 114.162 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.95 -8.32 28.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.485 1.114 . . . . 1.0 113.3 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -74.74 145.94 42.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.71 -27.87 69.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.519 1.127 . . . . 1.0 112.359 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -61.04 -43.03 99.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.766 0.826 . . . . 1.0 110.906 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -62.5 -46.2 89.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.885 0.874 . . . . 1.0 111.158 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.13 86.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.692 0.678 . . . . 1.0 112.427 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -63.59 -46.96 83.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.256 0.622 . . . . 1.0 111.331 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -62.88 -41.05 99.27 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.726 -0.609 . . . . 1.0 112.076 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.59 -42.43 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 118.717 -0.658 . . . . 1.0 110.45 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -57.02 -43.3 81.69 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.597 1.089 . . . . 1.0 111.71 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -66.47 -48.48 69.75 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.494 0.718 . . . . 1.0 111.167 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -58.1 -42.82 86.53 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.366 0.53 . . . . 1.0 112.398 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.52 -33.17 72.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.087 0.955 . . . . 1.0 112.838 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.61 -41.26 46.69 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.594 -0.691 . . . . 1.0 111.238 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.94 -42.07 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.309 1.444 . . . . 1.0 112.454 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -74.13 -4.91 38.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -56.29 133.4 52.62 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.733 1.213 . . . . 1.0 112.19 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 -164.86 35.11 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.36 0.981 . . . . 1.0 113.651 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -144.21 161.63 38.41 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.006 1.722 . . . . 1.0 111.428 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -141.11 21.74 2.26 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.926 1.084 . . . . 1.0 113.926 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.4 p -146.92 159.72 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.832 1.253 . . . . 1.0 112.599 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 p -155.06 138.85 11.15 Favored Pre-proline 0 N--CA 1.476 0.851 0 C-N-CA 125.435 1.494 . . . . 1.0 110.087 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.54 -8.42 20.55 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 123.239 2.626 . . . . 1.0 114.59 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 158.25 18.78 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.126 1.37 . . . . 1.0 113.897 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -150.93 153.98 36.28 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.991 1.717 . . . . 1.0 110.817 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -146.63 160.63 41.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.148 1.779 . . . . 1.0 111.593 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -144.31 173.63 11.6 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.675 1.59 . . . . 1.0 111.471 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -66.67 -32.94 74.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.224 1.01 . . . . 1.0 112.467 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.85 166.88 16.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.095 0.958 . . . . 1.0 112.659 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.77 70.31 13.62 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 125.004 1.322 . . . . 1.0 112.116 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 -10.75 18.48 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.14 3.227 . . . . 1.0 117.243 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.83 -10.62 0.9 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.961 1.837 . . . . 1.0 115.961 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -66.14 156.27 34.48 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.53 1.932 . . . . 1.0 112.165 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm -84.57 154.96 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.38 1.072 . . . . 1.0 110.881 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -116.42 28.23 8.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.754 1.622 . . . . 1.0 112.48 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -78.12 -7.72 57.36 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.799 1.64 . . . . 1.0 114.873 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.45 -2.85 86.58 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.985 1.279 . . . . 1.0 114.375 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -110.79 -34.03 6.37 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.195 1.398 . . . . 1.0 111.355 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -70.98 1.71 5.3 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.048 0.939 . . . . 1.0 112.767 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.3 ptt-85 -50.8 -22.15 2.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.764 2.026 . . . . 1.0 113.792 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.2 m -54.05 -24.41 17.11 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.779 1.632 . . . . 1.0 113.523 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -103.73 -33.4 8.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.65 1.18 . . . . 1.0 113.7 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.6 p -150.51 171.37 17.17 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.911 1.819 . . . . 1.0 115.911 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.0 t -135.94 91.96 16.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.127 1.771 . . . . 1.0 108.987 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.46 -18.31 49.27 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.893 2.395 . . . . 1.0 113.653 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.79 -35.69 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.008 . . . . 1.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.31 -7.88 14.78 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.555 1.542 . . . . 1.0 113.645 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.5 t30 55.35 59.63 3.83 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.061 2.944 . . . . 1.0 112.428 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 63.5 mtm -134.31 166.67 22.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.523 1.529 . . . . 1.0 112.311 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -128.49 158.64 37.83 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.23 1.812 . . . . 1.0 111.977 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -131.19 147.01 52.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.774 1.229 . . . . 1.0 112.894 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -84.58 -10.97 56.89 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.177 1.391 . . . . 1.0 114.29 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -156.38 149.67 18.75 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 125.381 1.472 . . . . 1.0 111.589 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.45 -29.43 85.11 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.913 2.409 . . . . 1.0 112.244 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.46 -39.82 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.307 -0.871 . . . . 1.0 110.53 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.95 -42.25 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.887 0.875 . . . . 1.0 109.868 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.74 68.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.269 0.628 . . . . 1.0 111.955 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.76 -42.01 96.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.609 -0.682 . . . . 1.0 111.442 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 t -59.72 -40.6 88.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.983 0.913 . . . . 1.0 111.543 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -66.64 -50.37 63.19 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.605 -0.684 . . . . 1.0 111.487 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -57.32 -34.06 68.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.351 1.241 . . . . 1.0 114.351 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -87.22 -7.32 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.223 0.919 . . . . 1.0 113.422 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.9 154.59 34.05 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.46 1.029 . . . . 1.0 114.002 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.77 -32.74 70.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.845 0.858 . . . . 1.0 113.297 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.4 m -57.3 -42.12 81.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.203 1.001 . . . . 1.0 111.603 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -68.12 -43.72 77.73 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.125 0.57 . . . . 1.0 111.147 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.92 -42.89 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.418 1.087 . . . . 1.0 111.041 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.61 -38.24 86.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.731 0.812 . . . . 1.0 111.29 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.35 -28.45 68.67 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 118.202 -0.904 . . . . 1.0 112.667 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 mt -57.23 -49.53 75.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.461 1.482 . . . . 1.0 109.733 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -63.11 -36.54 83.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.829 1.252 . . . . 1.0 112.056 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.97 -48.36 76.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.776 1.231 . . . . 1.0 111.19 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -65.5 -26.45 67.92 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.307 0.854 . . . . 1.0 113.307 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.12 -12.86 60.18 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 . . . . . 0 N--CA 1.473 0.706 0 CA-C-N 119.774 1.17 . . . . 1.0 112.087 179.028 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.705 0 CA-C-O 120.783 0.325 . . . . 1.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.07 -27.57 63.77 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.876 0.871 . . . . 1.0 113.219 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.12 -13.05 23.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.024 1.329 . . . . 1.0 113.272 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -134.23 14.83 3.83 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.852 2.061 . . . . 1.0 112.185 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.28 32.51 0.22 Allowed Glycine 0 CA--C 1.537 1.426 0 N-CA-C 115.934 1.134 . . . . 1.0 115.934 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -60.26 150.52 30.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.449 1.124 . . . . 1.0 112.514 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.7 171.29 44.37 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.869 1.223 . . . . 1.0 113.434 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.14 173.35 15.61 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.497 1.519 . . . . 1.0 111.272 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.34 -179.74 5.7 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.484 2.714 . . . . 1.0 110.124 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp -133.98 118.75 18.2 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.145 -0.972 . . . . 1.0 111.665 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.63 41.3 3.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.896 2.478 . . . . 1.0 110.36 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mt -132.39 162.23 58.25 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 127.811 2.445 . . . . 1.0 111.898 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.77 159.11 47.16 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.052 2.501 . . . . 1.0 110.836 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.17 30.23 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.099 0.959 . . . . 1.0 112.054 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.15 168.7 36.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 121.031 -1.043 . . . . 1.0 114.488 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.66 -43.1 75.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.805 1.642 . . . . 1.0 112.688 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -64.45 -44.56 90.73 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.525 0.73 . . . . 1.0 111.899 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.17 90.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.981 0.512 . . . . 1.0 111.629 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.64 -43.0 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 118.469 0.577 . . . . 1.0 110.502 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.82 -47.41 84.91 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.509 -0.744 . . . . 1.0 111.546 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -65.14 -40.2 94.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.018 0.527 . . . . 1.0 111.983 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.33 -43.33 99.05 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.033 0.933 . . . . 1.0 111.573 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.28 -48.42 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 123.833 0.853 . . . . 1.0 109.637 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.81 -46.72 84.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.713 1.205 . . . . 1.0 113.127 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.78 -14.65 62.05 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -131.15 35.88 3.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.272 1.429 . . . . 1.0 112.402 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -53.19 -19.81 3.39 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.572 1.693 . . . . 1.0 115.572 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -76.03 -20.47 57.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.674 1.589 . . . . 1.0 113.734 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.6 pt -130.93 -19.41 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -123.58 144.47 49.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.55 1.54 . . . . 1.0 109.044 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -145.85 172.72 12.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.892 0.877 . . . . 1.0 112.169 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.96 -16.3 50.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.048 1.339 . . . . 1.0 113.592 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -137.48 2.35 2.46 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.642 1.719 . . . . 1.0 115.642 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -159.9 147.24 16.56 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.787 1.63 . . . . 1.0 113.35 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.2 t -117.24 114.4 23.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.802 1.241 . . . . 1.0 108.179 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.07 -34.58 64.07 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.615 0.766 . . . . 1.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.8 t -55.55 -48.3 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.388 1.075 . . . . 1.0 110.835 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -93.13 2.83 56.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.051 1.34 . . . . 1.0 112.606 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t 38.44 55.92 1.81 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.527 2.731 . . . . 1.0 112.597 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 143.92 42.6 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 1.0 112.835 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.89 147.12 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.735 1.214 . . . . 1.0 109.469 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -123.34 71.69 1.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.705 2.402 . . . . 1.0 108.591 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.25 -7.79 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 117.523 2.416 . . . . 1.0 117.523 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -155.74 156.45 34.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.241 1.416 . . . . 1.0 110.835 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -59.11 -36.05 74.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.699 0.8 . . . . 1.0 112.639 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.7 p -63.16 -40.42 97.49 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.411 1.005 . . . . 1.0 111.705 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -67.22 -42.41 84.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.326 0.651 . . . . 1.0 110.543 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -60.83 -47.5 86.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.766 0.712 . . . . 1.0 111.067 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.09 -43.5 98.69 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.323 1.049 . . . . 1.0 111.408 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.57 81.97 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.874 0.761 . . . . 1.0 112.047 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -63.12 -51.34 66.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.243 0.617 . . . . 1.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.16 -18.24 64.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.347 1.24 . . . . 1.0 114.347 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.42 -10.43 23.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.185 0.994 . . . . 1.0 112.877 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -67.39 143.03 56.52 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.668 1.187 . . . . 1.0 113.578 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -61.0 -28.03 68.74 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.472 1.109 . . . . 1.0 112.499 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.03 -42.46 97.07 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.192 0.997 . . . . 1.0 111.295 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -59.77 -43.28 94.42 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.966 0.906 . . . . 1.0 112.337 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.268 0.94 . . . . 1.0 112.194 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -64.31 -42.09 96.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.385 0.674 . . . . 1.0 111.34 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.89 -43.01 97.29 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.396 0.678 . . . . 1.0 111.656 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.53 -45.38 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 1.0 110.3 175.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -57.54 -43.46 84.41 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.097 0.862 . . . . 1.0 111.92 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -66.67 -47.02 73.78 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.128 0.971 . . . . 1.0 111.441 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.69 -42.73 93.64 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.256 1.022 . . . . 1.0 111.985 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.4 -33.54 72.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.01 0.924 . . . . 1.0 112.191 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.23 60.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.675 0.79 . . . . 1.0 112.204 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.45 -29.59 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.447 1.499 . . . . 1.0 111.654 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.24 158.79 2.89 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.854 1.662 . . . . 1.0 113.611 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -48.41 129.47 15.87 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.903 1.681 . . . . 1.0 113.682 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.54 25.23 0.03 OUTLIER Glycine 0 CA--C 1.539 1.554 0 C-N-CA 125.453 1.501 . . . . 1.0 114.357 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.39 114.28 1.31 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.973 2.109 . . . . 1.0 113.867 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.76 161.03 29.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.946 1.298 . . . . 1.0 111.98 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.3 p -73.78 -23.37 59.69 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.224 1.194 . . . . 1.0 114.224 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.56 67.52 8.8 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.404 1.481 . . . . 1.0 111.843 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.19 3.35 5.24 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 124.272 3.314 . . . . 1.0 114.892 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 160.72 5.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.381 1.472 . . . . 1.0 114.083 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.43 -32.81 51.52 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.606 1.562 . . . . 1.0 113.972 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.22 62.74 2.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.176 1.79 . . . . 1.0 110.754 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.71 156.76 6.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.74 2.016 . . . . 1.0 113.562 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -103.98 5.79 35.74 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.34 1.978 . . . . 1.0 116.34 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.48 174.95 10.07 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.275 1.03 . . . . 1.0 112.891 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.73 155.38 44.84 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.681 1.592 . . . . 1.0 111.395 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -74.24 39.1 0.51 Allowed 'Trans proline' 0 CA--C 1.551 1.346 1 C-N-CA 125.398 4.065 . . . . 1.0 114.255 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.5 23.72 2.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.797 2.039 . . . . 1.0 111.716 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -60.22 -20.36 58.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.322 1.601 . . . . 1.0 115.322 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.84 -28.1 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 1.0 111.036 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.8 m -67.92 -10.5 53.82 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.833 1.049 . . . . 1.0 113.833 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -144.55 24.92 1.53 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.717 1.607 . . . . 1.0 112.272 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.77 -177.53 39.72 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 121.047 -1.033 . . . . 1.0 114.312 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.31 155.8 40.25 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.888 1.07 . . . . 1.0 113.888 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -80.16 172.46 13.75 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.757 1.223 . . . . 1.0 109.916 172.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 -6.99 -75.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 129.234 3.013 . . . . 1.0 115.487 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.9 p 37.8 -37.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 1 C-N-CA 133.371 4.668 . . . . 1.0 121.605 176.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -125.28 -14.08 6.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.615 2.766 . . . . 1.0 112.026 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 29.9 p -138.35 161.32 37.24 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.458 1.903 . . . . 1.0 111.017 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.8 t -144.98 89.51 6.49 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.131 1.372 . . . . 1.0 110.108 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.3 -19.7 43.63 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.575 2.183 . . . . 1.0 112.752 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.74 -27.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.455 1.502 . . . . 1.0 111.315 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -126.86 -5.5 6.27 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.835 1.654 . . . . 1.0 114.387 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.2 t30 56.13 56.85 5.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 129.248 3.019 . . . . 1.0 112.895 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.1 mtm -138.79 174.91 10.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.707 1.603 . . . . 1.0 112.615 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -132.06 162.88 29.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.778 1.631 . . . . 1.0 112.897 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -131.24 147.09 52.55 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.537 1.535 . . . . 1.0 112.51 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 p -79.35 -16.1 56.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.636 1.175 . . . . 1.0 113.838 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 t -159.0 149.02 15.25 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 125.631 1.572 . . . . 1.0 111.611 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -61.71 -22.35 74.19 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.901 2.401 . . . . 1.0 112.669 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.86 -39.81 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.325 -0.859 . . . . 1.0 109.973 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.33 -41.41 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.873 0.869 . . . . 1.0 109.954 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.17 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.487 0.715 . . . . 1.0 111.954 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.48 -43.05 88.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.846 0.858 . . . . 1.0 111.436 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -67.87 -37.06 81.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.134 0.574 . . . . 1.0 111.759 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.93 -42.54 97.32 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.473 -0.767 . . . . 1.0 112.37 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.64 -24.98 52.14 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.518 1.303 . . . . 1.0 114.518 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.47 3.17 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.758 1.223 . . . . 1.0 113.073 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.63 142.78 22.07 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.321 0.962 . . . . 1.0 110.911 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -51.49 -38.03 51.96 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.176 1.176 . . . . 1.0 114.176 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.6 m -57.5 -44.0 84.64 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.941 0.896 . . . . 1.0 111.731 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -70.1 -42.86 72.13 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.161 0.584 . . . . 1.0 111.153 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.67 -44.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.364 1.065 . . . . 1.0 111.532 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.15 -39.17 85.42 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.766 0.712 . . . . 1.0 111.208 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.31 -23.97 62.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 118.099 -0.953 . . . . 1.0 113.271 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.14 -50.2 74.31 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.675 1.579 . . . . 1.0 109.421 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -61.11 -40.23 92.98 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.56 1.544 . . . . 1.0 111.95 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.04 -41.03 97.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.785 0.834 . . . . 1.0 111.828 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -73.04 -41.7 63.92 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.211 1.004 . . . . 1.0 112.523 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.93 132.61 10.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 1.0 112.656 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 124.927 1.291 . . . . 1.0 112.392 177.458 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -77.13 -9.44 58.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.102 1.361 . . . . 1.0 113.756 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -142.54 24.14 1.92 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.385 1.874 . . . . 1.0 112.843 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -146.7 -179.93 7.12 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.676 1.99 . . . . 1.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.28 -169.17 28.54 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 120.975 -1.078 . . . . 1.0 114.75 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -59.58 163.83 3.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.14 1.376 . . . . 1.0 114.319 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.53 172.32 50.69 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.31 0.957 . . . . 1.0 113.849 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -151.59 -179.89 7.8 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.223 2.209 . . . . 1.0 109.145 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.44 157.27 2.91 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.733 -1.229 . . . . 1.0 112.59 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.42 92.36 1.85 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.295 1.045 . . . . 1.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -129.42 56.17 1.72 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.261 2.224 . . . . 1.0 108.377 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.13 152.32 80.44 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 1.0 110.868 -174.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 155.08 68.27 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.144 1.896 . . . . 1.0 109.81 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.2 t -134.89 115.13 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.14 0.976 . . . . 1.0 110.492 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.32 168.27 37.79 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.174 1.369 . . . . 1.0 114.69 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -57.64 -29.86 64.92 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.605 1.162 . . . . 1.0 114.027 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.96 -44.56 84.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.937 0.895 . . . . 1.0 112.083 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.5 82.03 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.708 -0.62 . . . . 1.0 110.951 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.1 -41.69 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.176 0.59 . . . . 1.0 110.451 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -60.21 -47.36 86.28 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.453 -0.779 . . . . 1.0 110.918 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -60.94 -44.34 97.38 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.833 0.453 . . . . 1.0 111.391 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.42 -45.02 95.1 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.909 1.284 . . . . 1.0 112.21 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.87 -45.93 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.045 0.938 . . . . 1.0 110.957 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -66.93 -30.64 70.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.517 1.127 . . . . 1.0 113.546 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.5 -14.36 46.22 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.863 0.865 . . . . 1.0 113.148 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -135.0 37.84 3.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.038 1.335 . . . . 1.0 112.698 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -57.87 -14.65 6.48 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.237 1.569 . . . . 1.0 115.237 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -76.01 -19.29 58.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.365 1.466 . . . . 1.0 113.027 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 pt -129.88 -19.03 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.479 1.511 . . . . 1.0 115.027 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -124.89 151.78 44.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.302 . . . . 1.0 110.093 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -155.08 170.16 22.43 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.168 0.987 . . . . 1.0 112.324 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.81 -20.44 50.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.072 1.349 . . . . 1.0 114.096 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -134.79 5.02 3.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -162.97 144.82 10.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.817 1.644 . . . . 1.0 113.331 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -117.17 117.08 28.61 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.259 1.423 . . . . 1.0 109.285 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -75.89 -37.59 58.68 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.629 0.974 . . . . 1.0 113.629 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.3 t -58.28 -37.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.849 0.749 . . . . 1.0 111.188 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.0 m -103.11 8.98 38.62 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.367 1.467 . . . . 1.0 112.346 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.6 p 32.35 54.38 0.34 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.129 2.971 . . . . 1.0 114.357 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.46 45.1 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.729 1.212 . . . . 1.0 113.373 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.85 149.17 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.186 1.395 . . . . 1.0 109.606 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.1 mt -125.46 74.19 1.37 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.28 2.232 . . . . 1.0 108.688 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 pt -54.82 -13.98 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 117.051 2.241 . . . . 1.0 117.051 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -154.46 158.11 39.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.46 1.504 . . . . 1.0 111.053 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.81 -37.79 71.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.653 0.781 . . . . 1.0 112.904 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.3 p -59.98 -37.62 80.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.522 1.056 . . . . 1.0 112.382 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -69.33 -44.3 71.96 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 1.0 109.802 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -60.3 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.408 0.683 . . . . 1.0 111.113 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.5 -42.97 99.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.033 0.933 . . . . 1.0 111.797 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.92 73.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.034 0.834 . . . . 1.0 112.388 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.99 -51.28 62.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.251 0.621 . . . . 1.0 112.204 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -66.3 -25.49 66.87 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.812 1.042 . . . . 1.0 113.812 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.36 -10.68 43.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -64.21 140.98 58.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.48 1.112 . . . . 1.0 113.815 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -62.86 -34.09 76.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.1 0.96 . . . . 1.0 111.384 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -64.26 -45.72 86.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.133 0.973 . . . . 1.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.0 -49.28 76.68 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.552 0.741 . . . . 1.0 110.546 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.63 87.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.919 0.487 . . . . 1.0 112.224 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.66 -47.1 86.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.558 0.743 . . . . 1.0 111.506 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.231 0.613 . . . . 1.0 111.989 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.73 -42.55 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.939 0.896 . . . . 1.0 111.073 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -57.34 -42.95 82.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.411 1.085 . . . . 1.0 111.422 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -67.23 -49.34 64.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.013 0.925 . . . . 1.0 111.141 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.41 -44.33 80.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.149 0.98 . . . . 1.0 112.565 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.2 mmt -58.88 -33.37 70.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.793 1.237 . . . . 1.0 112.576 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.55 32.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.524 0.729 . . . . 1.0 111.144 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.29 -40.51 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.776 1.23 . . . . 1.0 111.154 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.65 -17.76 16.52 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.071 1.748 . . . . 1.0 114.228 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -127.0 19.38 7.08 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.536 1.934 . . . . 1.0 112.435 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.93 41.91 0.6 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.039 1.78 . . . . 1.0 112.549 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.51 42.82 0.1 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 127.213 2.205 . . . . 1.0 113.558 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -71.17 164.31 25.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.616 1.566 . . . . 1.0 112.248 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -54.95 135.36 48.55 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.824 1.25 . . . . 1.0 112.594 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.67 129.91 82.67 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 124.115 0.966 . . . . 1.0 110.521 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -77.2 51.95 3.67 Favored 'Trans proline' 0 CA--C 1.55 1.294 0 C-N-CA 124.897 3.731 . . . . 1.0 112.083 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.19 155.82 16.61 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.441 1.496 . . . . 1.0 113.934 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -64.2 166.75 7.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.602 1.561 . . . . 1.0 113.918 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -72.58 68.24 0.81 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.553 1.941 . . . . 1.0 111.708 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -46.38 -27.81 1.17 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 116.214 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.19 -26.43 66.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.935 1.294 . . . . 1.0 113.351 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.22 161.09 30.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.491 1.116 . . . . 1.0 113.325 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.94 152.06 30.99 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.579 1.551 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.34 144.29 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.989 2.46 . . . . 1.0 112.242 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.57 -35.29 0.08 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.705 1.202 . . . . 1.0 113.662 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -143.49 164.12 31.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.431 1.893 . . . . 1.0 111.362 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.0 -25.58 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.952 1.301 . . . . 1.0 112.561 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.6 p -146.26 -64.31 0.3 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.114 1.366 . . . . 1.0 111.685 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -156.63 -34.09 0.08 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.273 2.229 . . . . 1.0 111.3 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.07 23.26 0.06 OUTLIER Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.914 1.245 . . . . 1.0 114.611 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -151.37 145.7 25.46 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.066 1.346 . . . . 1.0 111.119 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -74.32 63.93 1.07 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.73 1.612 . . . . 1.0 113.035 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -76.91 28.97 0.13 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.368 1.867 . . . . 1.0 114.042 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.7 p -77.67 -13.56 59.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.488 1.515 . . . . 1.0 113.934 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -132.27 -10.03 3.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.841 1.656 . . . . 1.0 114.572 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.83 152.27 40.04 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.215 1.406 . . . . 1.0 112.292 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 25.7 t -136.3 89.99 18.57 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 126.2 1.8 . . . . 1.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.86 -23.46 47.67 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.574 2.183 . . . . 1.0 112.71 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.21 -34.45 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.194 1.397 . . . . 1.0 111.251 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -118.82 -0.03 11.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.288 1.435 . . . . 1.0 114.107 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.309 0.9 OUTLIER 51.11 54.89 10.41 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 129.422 3.089 . . . . 1.0 114.092 -176.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.4 mtm -133.11 169.95 16.11 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.585 1.554 . . . . 1.0 112.659 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.9 p -131.75 159.52 38.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.969 1.708 . . . . 1.0 112.239 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.34 147.13 52.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.502 1.521 . . . . 1.0 112.599 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -77.85 -19.41 54.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.371 1.248 . . . . 1.0 114.371 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -160.23 158.51 26.04 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.887 1.675 . . . . 1.0 111.981 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.71 -30.12 91.35 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.458 2.772 . . . . 1.0 113.778 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.56 -38.09 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.487 -0.758 . . . . 1.0 110.637 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.13 -34.42 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.287 1.035 . . . . 1.0 110.765 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.06 72.81 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.395 -0.816 . . . . 1.0 109.584 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.06 -43.22 95.57 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.233 1.013 . . . . 1.0 112.467 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 p -60.1 -35.57 75.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.025 0.829 . . . . 1.0 112.181 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.98 -47.01 61.31 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.608 0.763 . . . . 1.0 111.058 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.61 -32.36 72.48 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.93 -4.77 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.481 1.037 . . . . 1.0 113.428 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.06 149.2 19.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.666 1.127 . . . . 1.0 113.354 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.47 -28.7 67.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.407 1.083 . . . . 1.0 113.882 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 m -54.44 -41.02 68.91 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.398 1.079 . . . . 1.0 112.07 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -69.0 -44.59 72.51 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.631 -0.668 . . . . 1.0 111.081 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.45 -37.9 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.723 1.209 . . . . 1.0 112.182 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -59.48 -40.93 88.57 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.281 -0.887 . . . . 1.0 110.449 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.02 -34.64 73.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 118.219 -0.896 . . . . 1.0 112.037 175.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.1 mt -54.51 -48.68 71.62 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.324 1.42 . . . . 1.0 110.275 174.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -61.23 -37.35 82.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.728 1.211 . . . . 1.0 112.929 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.56 -35.85 77.97 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.461 0.704 . . . . 1.0 111.989 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -78.1 -37.74 45.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.621 1.168 . . . . 1.0 112.811 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -153.52 129.97 10.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.612 1.165 . . . . 1.0 112.165 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 125.13 1.372 . . . . 1.0 112.408 178.261 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.764 0 CA-C-O 121.149 0.499 . . . . 1.0 111.66 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.15 -36.29 0.42 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.021 1.328 . . . . 1.0 112.119 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -66.34 -15.65 63.43 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.953 1.701 . . . . 1.0 113.333 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -74.99 -5.89 46.4 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.002 1.721 . . . . 1.0 113.464 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.48 -160.95 9.91 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.487 1.518 . . . . 1.0 113.717 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -143.8 164.93 29.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.179 1.392 . . . . 1.0 111.246 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.72 -24.78 0.07 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.454 1.502 . . . . 1.0 114.187 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.6 -17.36 62.29 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.751 1.22 . . . . 1.0 113.757 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 165.31 7.06 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.27 1.428 . . . . 1.0 113.919 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -147.72 -179.79 7.14 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.939 2.096 . . . . 1.0 110.498 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -68.47 17.31 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.288 2.235 . . . . 1.0 115.099 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.27 152.33 66.71 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.05 2.14 . . . . 1.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.5 158.53 57.26 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.394 2.063 . . . . 1.0 110.501 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -140.65 25.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-O 122.485 1.136 . . . . 1.0 113.391 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.91 168.8 38.0 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.161 1.362 . . . . 1.0 112.792 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -55.98 -43.02 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.814 0.846 . . . . 1.0 112.911 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.76 -41.99 98.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.085 0.954 . . . . 1.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -43.76 77.97 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.057 0.543 . . . . 1.0 111.378 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.71 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.419 0.554 . . . . 1.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.11 -46.96 88.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.483 -0.761 . . . . 1.0 111.053 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.0 m -58.73 -44.04 90.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.139 0.576 . . . . 1.0 111.597 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.34 -41.45 93.62 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.86 1.264 . . . . 1.0 111.883 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.747 0.819 . . . . 1.0 109.888 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -45.67 82.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.598 1.159 . . . . 1.0 112.325 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.66 -14.42 62.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.093 1.146 . . . . 1.0 114.093 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -132.2 36.35 3.64 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.06 1.344 . . . . 1.0 112.68 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -54.42 -18.32 4.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -76.12 -15.4 60.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.852 1.661 . . . . 1.0 113.839 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.39 -21.57 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.443 1.497 . . . . 1.0 114.633 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -120.0 153.68 35.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.482 1.513 . . . . 1.0 110.313 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.0 p -156.14 169.98 23.25 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.544 1.138 . . . . 1.0 111.041 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.97 -10.46 49.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.63 0.98 3.33 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.345 1.609 . . . . 1.0 115.345 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -163.5 146.15 9.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.421 1.464 . . . . 1.0 113.42 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.17 114.68 24.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.179 1.392 . . . . 1.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -76.63 -32.5 58.06 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.11 -37.64 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.389 0.995 . . . . 1.0 111.037 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.7 m -100.22 6.07 44.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 1.0 112.463 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m 36.65 53.61 1.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.671 2.788 . . . . 1.0 113.53 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.19 146.46 44.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.519 1.127 . . . . 1.0 113.384 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -88.03 148.36 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.139 1.376 . . . . 1.0 109.69 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.05 77.22 1.44 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.396 2.279 . . . . 1.0 108.02 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -51.2 -20.52 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 117.096 2.258 . . . . 1.0 117.096 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 t -156.27 171.16 20.68 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.889 1.275 . . . . 1.0 111.377 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.75 -42.29 79.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.136 0.974 . . . . 1.0 111.666 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.518 1.053 . . . . 1.0 112.633 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -65.69 -42.45 91.19 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.815 -0.553 . . . . 1.0 110.327 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -60.63 -47.42 86.29 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.437 0.562 . . . . 1.0 111.185 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.22 -44.57 95.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.567 1.147 . . . . 1.0 111.804 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.84 -42.64 76.88 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.641 0.655 . . . . 1.0 112.407 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -63.56 -51.18 66.51 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.206 0.602 . . . . 1.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.22 -26.87 66.81 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.043 1.127 . . . . 1.0 114.043 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.6 -11.35 51.7 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.958 0.799 . . . . 1.0 113.139 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -67.91 140.88 56.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.072 1.138 . . . . 1.0 114.072 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -63.53 -32.8 74.37 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.11 . . . . 1.0 111.838 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.94 -45.34 92.91 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.236 1.015 . . . . 1.0 111.168 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.28 -49.46 75.57 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.741 0.817 . . . . 1.0 110.678 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.52 88.09 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.522 0.564 . . . . 1.0 112.522 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.707 -0.621 . . . . 1.0 111.657 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -63.33 -41.92 98.92 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.453 -0.779 . . . . 1.0 111.643 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.96 -42.99 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.815 0.846 . . . . 1.0 110.463 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.23 -43.38 87.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.17 0.895 . . . . 1.0 111.358 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -47.17 79.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.485 1.114 . . . . 1.0 110.814 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.7 -44.27 96.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.588 1.155 . . . . 1.0 112.193 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.61 -35.87 77.2 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 1.0 111.98 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.03 -4.74 14.31 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.895 1.072 . . . . 1.0 113.895 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.7 mt -116.68 5.0 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 C-N-CA 127.009 2.124 . . . . 1.0 110.57 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -65.24 3.36 0.65 Allowed 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 116.658 2.096 . . . . 1.0 116.658 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -56.54 149.74 16.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.741 1.616 . . . . 1.0 112.75 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -157.74 -157.63 8.53 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.033 1.302 . . . . 1.0 113.519 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -56.41 153.79 9.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.986 1.714 . . . . 1.0 113.215 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -72.54 48.49 0.19 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.599 2.36 . . . . 1.0 113.882 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -149.45 144.46 26.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.102 1.761 . . . . 1.0 110.773 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.2 p -152.57 136.99 10.53 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 124.717 1.207 . . . . 1.0 110.987 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.3 7.94 3.5 Favored 'Trans proline' 0 CA--C 1.546 1.122 0 C-N-CA 123.975 3.116 . . . . 1.0 114.807 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.81 41.21 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 127.176 2.191 . . . . 1.0 115.348 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -136.27 156.95 47.92 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.624 1.97 . . . . 1.0 111.33 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -148.57 158.19 43.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.726 1.61 . . . . 1.0 111.39 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -143.57 165.22 28.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.953 1.701 . . . . 1.0 111.563 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.79 137.14 58.23 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.827 1.251 . . . . 1.0 113.179 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.89 165.42 36.15 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.905 1.682 . . . . 1.0 111.192 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.88 149.71 26.04 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.748 1.219 . . . . 1.0 112.06 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.24 169.79 21.75 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.743 2.962 . . . . 1.0 112.761 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.05 155.38 41.42 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.441 1.496 . . . . 1.0 111.523 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -142.43 6.93 1.71 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.481 1.112 . . . . 1.0 113.324 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.22 34.83 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.326 1.451 . . . . 1.0 111.607 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -57.77 -21.68 42.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.966 1.706 . . . . 1.0 114.284 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.85 -27.86 69.16 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.045 1.338 . . . . 1.0 112.761 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.03 53.25 Favored Glycine 0 CA--C 1.54 1.604 0 N-CA-C 116.559 1.384 . . . . 1.0 116.559 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -141.46 21.19 2.21 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 119.168 1.484 . . . . 1.0 113.209 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -63.55 113.03 3.06 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.854 -1.154 . . . . 1.0 111.484 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -54.73 -31.13 57.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.19 1.396 . . . . 1.0 114.357 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.1 m -75.31 -6.24 48.88 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -129.7 -17.82 3.57 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.693 1.597 . . . . 1.0 114.256 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.3 p -150.0 165.34 32.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.878 1.436 . . . . 1.0 114.878 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.7 t -139.75 90.6 10.98 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.359 1.864 . . . . 1.0 109.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.33 -19.02 50.26 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.484 2.122 . . . . 1.0 113.299 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.4 -22.14 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.831 1.252 . . . . 1.0 111.712 176.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.1 m -127.35 -8.35 5.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.015 1.726 . . . . 1.0 113.672 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.9 m120 57.21 56.79 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 129.085 2.954 . . . . 1.0 112.9 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 68.8 mtm -135.57 171.0 15.07 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.601 1.56 . . . . 1.0 112.456 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -127.56 159.45 34.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.595 1.558 . . . . 1.0 113.512 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -131.3 147.26 52.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.472 1.909 . . . . 1.0 112.398 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 p -78.26 -34.28 49.12 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.76 1.022 . . . . 1.0 113.76 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.2 m -145.52 158.56 50.25 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.94 1.296 . . . . 1.0 113.056 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -50.7 -40.85 55.81 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.106 3.204 . . . . 1.0 115.303 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.14 -37.34 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 1.0 111.704 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.47 -37.87 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.785 0.834 . . . . 1.0 110.754 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.43 84.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.88 0.472 . . . . 1.0 111.084 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.25 -43.4 98.94 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.811 -0.555 . . . . 1.0 111.648 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.7 m -60.92 -37.19 81.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 1.0 112.078 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -69.13 -47.76 64.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.723 -0.61 . . . . 1.0 111.053 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -57.6 -33.17 67.93 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.423 1.268 . . . . 1.0 114.423 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -84.61 -5.0 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 113.339 0.866 . . . . 1.0 113.339 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.25 150.73 23.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.668 1.127 . . . . 1.0 113.313 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -58.44 -31.57 67.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.7 m -58.52 -42.22 87.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.088 0.955 . . . . 1.0 111.367 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.03 -45.68 66.66 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.705 -0.622 . . . . 1.0 110.923 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.73 -39.08 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.404 1.082 . . . . 1.0 111.801 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.2 ttmt -59.39 -45.47 91.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.371 -0.831 . . . . 1.0 110.206 174.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -64.25 -34.0 77.11 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 117.809 -1.091 . . . . 1.0 112.686 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.74 -44.41 77.52 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.741 1.61 . . . . 1.0 111.116 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -70.0 -43.46 71.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.418 1.087 . . . . 1.0 111.932 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.72 -36.6 84.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.812 0.845 . . . . 1.0 112.513 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -85.59 -8.1 58.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.782 1.633 . . . . 1.0 113.305 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 53.57 42.63 31.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.508 1.923 . . . . 1.0 111.836 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 125.471 1.508 . . . . 1.0 111.121 -176.794 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.79 -23.81 1.2 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.843 2.057 . . . . 1.0 116.147 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.05 -16.28 62.59 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.376 1.25 . . . . 1.0 114.376 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -150.22 -30.81 0.21 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.533 1.679 . . . . 1.0 115.533 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.98 22.59 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.358 0.981 . . . . 1.0 113.719 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -50.79 127.73 19.1 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.574 1.15 . . . . 1.0 112.921 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.24 52.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.735 1.159 . . . . 1.0 112.406 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.97 -21.07 63.15 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 127.5 32.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.03 1.332 . . . . 1.0 113.386 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tt -78.45 100.58 6.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.26 1.424 . . . . 1.0 109.673 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -127.62 28.28 5.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.871 1.668 . . . . 1.0 111.861 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.79 141.6 85.01 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 125.686 1.594 . . . . 1.0 111.777 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.89 156.7 59.91 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.483 2.122 . . . . 1.0 110.316 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -137.32 115.7 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.236 1.014 . . . . 1.0 110.27 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 171.98 48.62 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.857 1.218 . . . . 1.0 115.281 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.71 -42.72 75.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.96 1.704 . . . . 1.0 113.553 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.15 -49.01 77.54 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.607 0.763 . . . . 1.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.36 96.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.955 0.502 . . . . 1.0 111.926 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.28 -42.94 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 119.032 -0.509 . . . . 1.0 110.91 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -62.16 -47.7 83.35 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.536 1.062 . . . . 1.0 110.919 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -58.14 -43.97 87.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.368 0.985 . . . . 1.0 111.746 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -58.97 -43.41 91.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.214 1.006 . . . . 1.0 111.878 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.38 -48.68 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.807 0.843 . . . . 1.0 110.627 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -58.41 -44.08 88.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.313 1.045 . . . . 1.0 112.598 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.06 -15.16 60.64 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -131.62 39.42 3.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.853 1.261 . . . . 1.0 112.799 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -55.17 -17.82 4.87 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.102 1.519 . . . . 1.0 115.102 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -76.8 -15.5 59.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.955 1.702 . . . . 1.0 113.774 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.0 pt -134.5 -22.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.14 152.13 40.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.111 1.364 . . . . 1.0 109.875 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -153.99 172.21 17.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.038 0.935 . . . . 1.0 112.093 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.12 -21.21 61.28 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.177 1.177 . . . . 1.0 114.177 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 p -135.7 6.23 3.19 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.026 1.861 . . . . 1.0 116.026 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -161.73 144.94 12.22 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.447 1.476 . . . . 1.0 113.21 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -117.01 115.02 24.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.179 1.392 . . . . 1.0 108.807 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -77.14 -34.45 56.55 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.624 0.972 . . . . 1.0 113.624 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -58.25 -39.15 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.723 0.809 . . . . 1.0 111.161 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -100.64 5.13 43.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.021 1.328 . . . . 1.0 112.487 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 36.47 56.55 1.1 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 128.636 2.774 . . . . 1.0 113.061 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 145.19 43.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.764 1.226 . . . . 1.0 112.97 -176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 t -90.47 148.75 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.69 1.196 . . . . 1.0 109.269 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -130.54 71.65 1.47 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.359 2.264 . . . . 1.0 108.479 -175.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.4 pt -66.53 2.08 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 116.052 1.871 . . . . 1.0 116.052 -174.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -147.97 148.58 30.91 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.638 1.575 . . . . 1.0 110.599 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.73 -34.95 73.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.707 -0.62 . . . . 1.0 111.69 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 m -63.67 -39.04 93.34 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.34 0.973 . . . . 1.0 111.631 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -64.83 -45.07 87.71 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.886 -0.509 . . . . 1.0 110.23 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -60.37 -47.46 85.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.458 0.703 . . . . 1.0 111.237 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.85 -43.27 99.18 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.334 1.054 . . . . 1.0 112.153 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.18 73.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.0 0.818 . . . . 1.0 112.306 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.01 -51.4 64.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.385 0.674 . . . . 1.0 112.278 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -66.93 -25.96 66.61 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -86.63 -14.61 42.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.087 0.858 . . . . 1.0 113.282 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -64.16 140.15 58.84 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.802 1.038 . . . . 1.0 113.802 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.74 -31.69 73.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.019 0.927 . . . . 1.0 111.286 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -63.39 -41.57 98.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.19 0.996 . . . . 1.0 111.23 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -63.7 -49.26 73.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.723 0.809 . . . . 1.0 109.872 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.34 81.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.785 0.661 . . . . 1.0 112.785 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.49 -45.18 92.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.573 -0.705 . . . . 1.0 111.306 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.6 -41.48 96.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.11 0.564 . . . . 1.0 111.614 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.13 -41.54 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.744 0.702 . . . . 1.0 110.87 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.33 -43.15 96.67 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.373 0.988 . . . . 1.0 111.184 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -65.05 -42.56 94.12 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.078 0.551 . . . . 1.0 111.481 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -63.79 -44.75 92.42 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.602 0.761 . . . . 1.0 111.638 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.54 -31.82 69.76 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.02 -1.05 . . . . 1.0 112.228 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.78 -3.79 30.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.652 1.181 . . . . 1.0 113.679 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.7 mt -119.28 -30.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.469 2.308 . . . . 1.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.96 146.94 5.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.57 2.348 . . . . 1.0 113.118 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -117.0 8.92 13.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.914 1.686 . . . . 1.0 113.437 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.94 52.54 1.67 Allowed Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.336 1.922 . . . . 1.0 114.491 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.51 -19.86 27.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.735 1.614 . . . . 1.0 114.474 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -73.27 -4.68 34.63 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.568 1.147 . . . . 1.0 113.549 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.0 m -121.75 20.68 10.92 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.934 1.694 . . . . 1.0 114.259 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -74.28 154.88 88.17 Favored Pre-proline 0 N--CA 1.482 1.172 0 O-C-N 121.13 -0.981 . . . . 1.0 113.036 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -58.34 -9.42 6.67 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 124.854 3.703 . . . . 1.0 117.725 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.58 45.23 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.848 2.059 . . . . 1.0 114.924 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -129.41 5.8 5.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.056 2.143 . . . . 1.0 113.278 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -140.59 130.1 24.04 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.016 2.126 . . . . 1.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -134.95 8.41 3.5 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.699 1.37 . . . . 1.0 114.699 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -144.68 147.32 32.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.255 1.822 . . . . 1.0 110.729 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.14 175.89 13.46 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.0 1.72 . . . . 1.0 111.562 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.26 98.25 Favored Pre-proline 0 CA--C 1.556 1.205 0 N-CA-C 116.258 1.948 . . . . 1.0 116.258 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.4 170.23 20.71 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 122.47 2.113 . . . . 1.0 112.96 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.57 17.53 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.498 1.519 . . . . 1.0 111.795 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.28 153.25 31.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.068 1.136 . . . . 1.0 114.068 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 56.3 mt -135.41 111.99 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.471 1.908 . . . . 1.0 107.415 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.3 p -69.76 -13.39 62.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.793 1.775 . . . . 1.0 115.793 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -140.28 56.26 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.424 1.49 . . . . 1.0 111.773 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.11 -176.98 35.7 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.853 1.216 . . . . 1.0 113.341 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.58 -24.59 14.23 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.271 1.428 . . . . 1.0 113.853 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.71 -28.02 60.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.71 1.204 . . . . 1.0 113.107 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -68.18 -24.1 64.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.769 0.827 . . . . 1.0 113.04 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -73.28 40.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.768 2.027 . . . . 1.0 113.883 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -134.56 -15.11 2.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.147 2.179 . . . . 1.0 113.651 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -146.64 144.95 29.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.906 1.282 . . . . 1.0 111.733 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 37.2 t -129.66 90.91 42.14 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.846 2.058 . . . . 1.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.62 -24.08 56.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.979 2.453 . . . . 1.0 113.024 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.67 -33.14 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.153 1.381 . . . . 1.0 111.226 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.0 m -114.85 -1.86 13.07 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.314 1.846 . . . . 1.0 114.344 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 50.39 57.57 6.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.77 2.828 . . . . 1.0 112.79 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.4 ptm -149.25 168.94 21.93 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.529 1.532 . . . . 1.0 112.774 -176.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 53.6 p -126.74 168.48 14.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.824 1.649 . . . . 1.0 112.774 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -131.09 147.0 52.56 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.151 1.38 . . . . 1.0 112.446 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 p -78.81 -19.85 51.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.562 1.145 . . . . 1.0 113.953 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -158.73 146.56 13.56 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.523 1.529 . . . . 1.0 111.513 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.6 -29.91 26.64 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.865 3.043 . . . . 1.0 114.647 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.83 -37.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.213 1.005 . . . . 1.0 111.236 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.4 t -72.97 -41.04 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.0 0.92 . . . . 1.0 109.871 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.93 67.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.709 0.804 . . . . 1.0 112.238 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.85 -41.61 98.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.529 -0.732 . . . . 1.0 112.009 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.8 m -59.76 -38.3 81.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.015 0.926 . . . . 1.0 111.945 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -68.24 -49.83 58.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.692 0.797 . . . . 1.0 110.859 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -58.94 -38.61 79.4 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.57 -8.81 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.63 162.24 23.26 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.834 1.206 . . . . 1.0 114.32 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.03 -30.37 66.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.64 1.176 . . . . 1.0 113.541 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.3 m -53.91 -44.45 70.57 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.916 1.286 . . . . 1.0 112.544 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.62 -45.13 65.8 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.019 0.528 . . . . 1.0 111.513 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.82 -34.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.04 1.336 . . . . 1.0 112.051 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.99 -38.4 73.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.277 1.031 . . . . 1.0 110.969 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.68 -34.2 46.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.789 -1.101 . . . . 1.0 111.752 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 -46.01 76.28 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.745 1.611 . . . . 1.0 110.021 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.77 -41.62 87.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.708 1.603 . . . . 1.0 112.354 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.34 -38.37 74.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.563 1.145 . . . . 1.0 112.545 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -73.2 -30.4 63.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.88 1.672 . . . . 1.0 113.56 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.98 16.44 20.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.411 1.485 . . . . 1.0 113.392 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 127.518 2.327 . . . . 1.0 114.246 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 115.686 1.736 . . . . 1.0 115.686 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.86 154.96 33.3 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.447 1.021 . . . . 1.0 111.418 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.59 -39.29 76.45 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.762 -1.211 . . . . 1.0 112.845 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -155.44 -1.71 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.613 1.708 . . . . 1.0 115.613 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -10.76 61.98 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 118.218 2.047 . . . . 1.0 118.218 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -149.29 166.9 27.55 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.658 2.229 . . . . 1.0 115.881 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.97 -179.35 42.91 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 128.768 3.08 . . . . 1.0 110.351 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -44.1 0.08 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.884 1.809 . . . . 1.0 115.884 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.3 172.14 8.73 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 tp -129.93 117.87 20.79 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.735 2.014 . . . . 1.0 108.922 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -138.97 74.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.195 1.798 . . . . 1.0 107.5 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -44.63 118.9 3.53 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 125.419 1.488 . . . . 1.0 113.274 -174.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -48.92 166.86 0.14 Allowed 'Trans proline' 0 C--N 1.354 0.825 1 C-N-CA 126.568 4.845 . . . . 1.0 119.319 -175.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -144.16 19.77 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.693 1.997 . . . . 1.0 111.68 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 168.54 30.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.763 2.125 . . . . 1.0 112.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.83 -37.4 68.66 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.969 1.1 . . . . 1.0 113.969 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.85 -46.31 84.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.284 0.634 . . . . 1.0 111.684 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 119.066 -0.492 . . . . 1.0 111.935 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.1 -42.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.356 0.98 . . . . 1.0 110.279 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -58.47 -46.88 85.72 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.578 0.751 . . . . 1.0 111.153 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m -63.63 -38.67 91.99 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.147 0.579 . . . . 1.0 112.03 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.46 -44.95 95.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.782 0.833 . . . . 1.0 111.096 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.38 -43.28 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.902 0.881 . . . . 1.0 109.778 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -57.8 -47.6 82.12 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.226 0.921 . . . . 1.0 112.093 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -73.57 -14.18 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.57 1.148 . . . . 1.0 113.818 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -132.67 30.56 4.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.034 1.334 . . . . 1.0 112.445 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -54.49 -21.16 9.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.81 -12.21 60.13 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.591 1.956 . . . . 1.0 113.705 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.9 pt -138.37 -20.29 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.842 1.657 . . . . 1.0 114.963 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -119.85 153.13 36.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.954 1.701 . . . . 1.0 109.876 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -155.35 171.55 19.69 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.447 1.099 . . . . 1.0 112.159 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -59.67 -18.45 42.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.681 1.192 . . . . 1.0 114.075 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -133.81 1.72 3.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.116 1.895 . . . . 1.0 116.116 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -162.38 144.86 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.827 1.649 . . . . 1.0 113.714 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -117.13 114.7 24.07 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.298 1.439 . . . . 1.0 109.137 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -78.96 -27.54 43.52 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.1 -40.7 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.317 0.962 . . . . 1.0 110.966 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' SG ' ' HE3' ' A' ' 61' ' ' LYS . 62.0 m -99.38 6.4 46.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.34 1.456 . . . . 1.0 112.15 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 m 37.47 56.87 1.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.555 2.742 . . . . 1.0 113.467 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.96 145.27 43.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.278 1.031 . . . . 1.0 113.606 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.53 147.68 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.031 1.332 . . . . 1.0 109.13 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -125.69 73.11 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.868 2.067 . . . . 1.0 109.295 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 pt -55.79 -14.32 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 116.873 2.175 . . . . 1.0 116.873 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -152.46 158.54 42.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.966 1.306 . . . . 1.0 111.127 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.99 -37.48 71.71 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.784 0.833 . . . . 1.0 112.441 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.5 p -59.94 -37.67 80.2 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 1.0 112.516 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.35 -44.99 67.0 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.393 0.677 . . . . 1.0 109.716 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.98 -47.44 85.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.64 0.776 . . . . 1.0 111.294 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.08 -54.76 42.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.043 0.937 . . . . 1.0 110.812 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.68 91.61 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.206 0.817 . . . . 1.0 113.206 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -66.49 -51.36 57.58 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.459 0.572 . . . . 1.0 112.206 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -69.5 -31.18 69.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.431 0.9 . . . . 1.0 113.431 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -73.86 -29.11 61.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.755 0.822 . . . . 1.0 112.411 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 t -57.49 138.83 54.68 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.546 1.684 . . . . 1.0 115.546 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -27.86 68.18 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.517 1.127 . . . . 1.0 111.726 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.97 -40.19 83.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.816 1.246 . . . . 1.0 111.207 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.35 -48.75 78.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.591 0.756 . . . . 1.0 108.97 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.93 76.02 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.579 0.585 . . . . 1.0 112.579 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -62.83 -47.18 84.51 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.391 -0.818 . . . . 1.0 111.182 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HE3' ' SG ' ' A' ' 39' ' ' CYS . 46.7 mtmt -62.6 -40.54 97.27 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.366 0.666 . . . . 1.0 111.353 176.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.92 -45.17 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.798 0.839 . . . . 1.0 111.45 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 -59.53 -43.09 93.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.371 0.987 . . . . 1.0 111.465 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -65.1 -46.56 80.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.895 0.878 . . . . 1.0 111.26 175.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.277 1.031 . . . . 1.0 112.477 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 mmt -57.81 -31.72 66.86 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 1.0 112.642 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.23 -1.18 39.54 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.727 1.211 . . . . 1.0 113.896 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.89 -29.21 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.45 1.9 . . . . 1.0 111.868 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -55.87 157.85 4.1 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.32 1.848 . . . . 1.0 113.786 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.62 140.11 36.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.929 1.692 . . . . 1.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.94 -36.63 0.46 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.177 1.37 . . . . 1.0 113.424 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.86 25.81 3.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.951 1.7 . . . . 1.0 111.944 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -139.83 44.73 1.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.811 1.645 . . . . 1.0 111.714 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.7 p -140.22 169.45 17.66 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.067 1.747 . . . . 1.0 112.158 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.34 151.84 70.2 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 125.328 1.451 . . . . 1.0 112.13 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.65 -0.72 10.91 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.032 3.155 . . . . 1.0 114.534 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.24 155.21 11.83 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.119 1.367 . . . . 1.0 114.174 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -132.82 26.29 4.32 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.855 1.662 . . . . 1.0 112.891 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.14 -37.86 88.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.846 1.658 . . . . 1.0 113.068 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -72.48 170.04 15.15 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.78 1.632 . . . . 1.0 113.676 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -61.11 165.4 4.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.231 1.413 . . . . 1.0 113.785 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.27 178.43 7.3 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.626 1.57 . . . . 1.0 112.21 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.39 162.38 45.23 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.704 1.602 . . . . 1.0 111.845 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -53.32 159.08 6.38 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.313 3.342 . . . . 1.0 115.537 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.17 29.78 2.22 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.33 1.852 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -128.34 168.59 15.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.322 2.249 . . . . 1.0 111.091 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.84 119.61 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.354 1.062 . . . . 1.0 110.715 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -139.37 15.23 2.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.606 1.562 . . . . 1.0 112.656 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.59 18.1 3.1 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.255 1.822 . . . . 1.0 114.171 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.44 161.73 31.91 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.162 0.887 . . . . 1.0 114.072 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -91.12 -4.58 56.09 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.117 1.367 . . . . 1.0 114.282 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.15 -19.02 2.58 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.376 1.87 . . . . 1.0 115.747 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.5 35.16 3.43 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.494 1.918 . . . . 1.0 112.76 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.0 p -107.98 -20.25 13.24 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -136.77 -7.33 1.89 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.846 1.425 . . . . 1.0 114.846 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.8 t -149.95 155.54 40.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 1.0 112.212 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.8 t -139.55 89.18 12.03 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 1.0 110.012 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.48 -25.97 76.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.348 2.699 . . . . 1.0 114.219 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.47 -26.06 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.922 1.289 . . . . 1.0 111.945 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 85.5 m -122.42 -9.92 8.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.023 1.729 . . . . 1.0 113.483 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 55.9 56.19 6.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.913 2.885 . . . . 1.0 112.501 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -135.93 166.55 23.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.887 1.675 . . . . 1.0 111.886 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -127.26 157.94 38.51 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.574 1.55 . . . . 1.0 113.069 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -131.45 147.46 52.55 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.635 1.974 . . . . 1.0 112.08 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -71.68 -39.17 70.42 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -142.28 158.14 61.7 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.296 1.439 . . . . 1.0 113.363 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.06 -36.88 93.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.902 3.068 . . . . 1.0 115.01 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.21 -32.98 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 119.543 1.065 . . . . 1.0 111.549 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.91 -40.84 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.499 -0.751 . . . . 1.0 109.349 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.93 -47.54 84.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.18 0.592 . . . . 1.0 110.99 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -59.36 -43.29 92.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.296 -0.877 . . . . 1.0 111.473 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.6 m -60.44 -36.73 78.9 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.091 0.956 . . . . 1.0 111.899 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -70.91 -50.35 35.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.064 0.546 . . . . 1.0 111.286 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -56.17 -36.07 67.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -85.53 -7.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.65 158.76 29.97 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.68 1.133 . . . . 1.0 114.271 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.16 -32.64 70.08 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.14 0.976 . . . . 1.0 113.596 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.0 m -56.29 -42.01 76.82 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.346 1.058 . . . . 1.0 111.883 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -68.33 -46.14 71.01 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.432 0.693 . . . . 1.0 111.118 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.89 -43.85 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.077 1.351 . . . . 1.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -60.5 -42.02 95.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.116 0.966 . . . . 1.0 110.973 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -63.62 -30.85 71.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 117.952 -1.023 . . . . 1.0 113.025 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.43 -43.22 79.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.422 1.465 . . . . 1.0 110.563 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.72 -42.04 91.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.477 1.111 . . . . 1.0 111.282 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.23 -39.2 93.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.375 0.67 . . . . 1.0 112.175 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -68.61 -38.97 81.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.704 0.684 . . . . 1.0 111.484 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.6 -39.9 84.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.989 0.916 . . . . 1.0 112.057 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.905 1.682 . . . . 1.0 110.417 179.592 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 113.936 1.087 . . . . 1.0 113.936 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.19 -16.86 59.76 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.385 1.074 . . . . 1.0 112.842 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -150.03 164.42 35.58 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.642 1.977 . . . . 1.0 111.404 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -144.53 -39.96 0.27 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.309 1.044 . . . . 1.0 113.398 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.33 29.09 0.16 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.177 1.37 . . . . 1.0 112.815 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.12 147.97 52.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.133 2.173 . . . . 1.0 112.886 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.76 168.92 29.68 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.655 1.121 . . . . 1.0 113.671 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.26 154.24 28.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.664 1.586 . . . . 1.0 111.844 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.63 143.96 32.71 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.084 0.954 . . . . 1.0 112.216 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.5 tp -156.6 148.65 23.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.743 1.617 . . . . 1.0 109.876 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.16 20.97 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.314 1.846 . . . . 1.0 112.661 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 mp -116.58 152.95 48.88 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 127.231 2.212 . . . . 1.0 110.209 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -70.64 155.38 63.13 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.863 2.375 . . . . 1.0 110.472 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.53 119.3 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.938 0.895 . . . . 1.0 111.107 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 162.58 38.41 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.498 1.523 . . . . 1.0 115.087 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -56.7 -35.73 68.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.36 1.464 . . . . 1.0 113.432 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.53 -47.05 80.27 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.687 0.795 . . . . 1.0 111.734 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.75 98.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.101 0.561 . . . . 1.0 111.334 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.04 -44.39 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.256 0.622 . . . . 1.0 110.912 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -60.15 -41.02 91.86 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.404 -0.81 . . . . 1.0 112.411 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -42.9 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.415 0.552 . . . . 1.0 111.278 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.82 -44.28 90.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.575 1.15 . . . . 1.0 112.137 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.45 -44.9 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.925 0.89 . . . . 1.0 110.305 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -65.47 -43.25 90.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.093 0.957 . . . . 1.0 113.362 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.27 -15.01 62.85 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.147 0.979 . . . . 1.0 113.563 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -134.28 38.02 3.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.09 1.356 . . . . 1.0 112.795 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -51.13 -27.49 8.61 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.57 1.322 . . . . 1.0 114.57 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -65.08 -20.05 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.813 1.645 . . . . 1.0 113.871 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.1 pt -131.3 -18.33 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.206 1.558 . . . . 1.0 115.206 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -124.29 151.6 44.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.559 1.144 . . . . 1.0 110.826 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -152.29 166.63 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.268 1.027 . . . . 1.0 111.301 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -52.93 -19.05 2.29 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.2 p -138.3 11.29 2.79 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -163.46 142.62 8.28 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.875 1.67 . . . . 1.0 114.262 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -117.51 118.03 31.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.737 1.615 . . . . 1.0 110.599 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -76.26 -40.05 52.85 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.773 1.027 . . . . 1.0 113.773 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.27 -38.13 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 1.0 111.803 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.29 4.13 43.92 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.595 1.158 . . . . 1.0 111.861 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 37.38 58.52 1.26 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.895 2.878 . . . . 1.0 113.229 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.14 148.27 46.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.726 1.21 . . . . 1.0 113.168 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.43 145.46 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.894 1.278 . . . . 1.0 108.811 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -123.7 75.03 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.309 2.244 . . . . 1.0 108.906 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 pt -65.36 1.79 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 127.141 2.176 . . . . 1.0 116.186 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -155.5 148.79 24.82 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.346 1.458 . . . . 1.0 110.575 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.84 -39.21 91.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.085 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 p -62.5 -37.87 87.71 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.05 1.295 . . . . 1.0 111.839 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -66.86 -42.48 85.59 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.978 0.911 . . . . 1.0 110.38 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -61.88 -47.8 83.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 1.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.656 0.782 . . . . 1.0 111.702 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -42.52 82.12 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.691 0.678 . . . . 1.0 111.929 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -63.93 -51.47 64.31 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.808 -0.557 . . . . 1.0 111.968 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -64.48 -18.97 65.27 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.278 1.214 . . . . 1.0 114.278 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -99.99 -8.06 24.36 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.546 1.138 . . . . 1.0 113.115 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.09 142.51 56.62 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.358 1.063 . . . . 1.0 113.785 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.79 -37.28 81.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.981 1.312 . . . . 1.0 111.594 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.92 -45.1 78.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.088 0.955 . . . . 1.0 110.944 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -59.81 -49.12 78.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.707 0.803 . . . . 1.0 110.719 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.66 85.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.028 0.531 . . . . 1.0 112.363 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.93 -47.22 81.36 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.621 -0.674 . . . . 1.0 111.926 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.72 -43.76 98.24 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.735 0.698 . . . . 1.0 111.483 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.94 -45.52 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.633 0.773 . . . . 1.0 112.38 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -60.89 -37.66 82.97 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.9 1.227 . . . . 1.0 111.664 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -67.16 -43.35 82.46 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.609 0.763 . . . . 1.0 111.28 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.52 -40.31 92.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 1.0 112.902 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.9 mmt -58.62 -27.94 65.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.014 0.926 . . . . 1.0 112.349 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.19 10.4 17.03 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.41 1.484 . . . . 1.0 112.942 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.0 mt -131.16 -46.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.255 1.822 . . . . 1.0 112.065 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -150.52 164.76 35.18 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.039 1.125 . . . . 1.0 114.039 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -155.14 176.54 12.42 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.242 2.217 . . . . 1.0 111.694 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.9 -173.06 32.14 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.46 1.029 . . . . 1.0 113.733 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.02 -39.81 0.07 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.94 1.089 . . . . 1.0 113.94 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.6 72.02 1.41 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.484 1.513 . . . . 1.0 114.179 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -154.94 -179.7 8.3 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.625 1.57 . . . . 1.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.23 130.89 23.12 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.103 1.761 . . . . 1.0 111.401 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.41 -36.78 53.29 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.515 2.81 . . . . 1.0 114.255 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.76 -179.92 5.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.771 1.628 . . . . 1.0 113.11 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -129.0 164.54 22.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.967 1.707 . . . . 1.0 109.967 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -142.51 40.74 1.58 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.585 1.154 . . . . 1.0 112.236 -179.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.14 160.01 3.12 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.919 1.288 . . . . 1.0 112.788 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -138.27 149.33 45.6 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.235 1.414 . . . . 1.0 112.499 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.83 177.44 11.39 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.34 1.856 . . . . 1.0 111.043 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.497 ' H ' ' HD2' ' A' ' 84' ' ' PRO . . . -137.46 -50.57 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 CA-C-O 117.356 -1.307 . . . . 1.0 114.386 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.497 ' HD2' ' H ' ' A' ' 83' ' ' ALA . 93.4 Cg_endo -74.1 154.96 47.47 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.114 1.791 . . . . 1.0 112.035 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -155.85 166.92 32.04 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.343 1.457 . . . . 1.0 111.663 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.01 3.17 24.01 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.28 1.032 . . . . 1.0 113.42 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.17 131.82 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.672 1.989 . . . . 1.0 108.313 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.1 m -127.32 12.99 7.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.159 1.384 . . . . 1.0 113.646 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -128.54 10.73 6.18 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.98 1.712 . . . . 1.0 112.433 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.8 -175.24 46.41 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.256 1.407 . . . . 1.0 113.444 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -142.35 38.17 1.54 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.198 1.799 . . . . 1.0 109.714 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -38.24 -46.69 1.1 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.562 2.745 . . . . 1.0 117.488 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -128.61 112.16 13.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.218 1.407 . . . . 1.0 109.373 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 p -160.47 -12.23 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.151 2.278 . . . . 1.0 117.151 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -131.76 -22.82 2.34 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.609 1.707 . . . . 1.0 115.609 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.59 170.2 19.72 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.244 1.018 . . . . 1.0 113.342 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 41.1 t -145.55 98.87 4.52 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.993 1.717 . . . . 1.0 109.136 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.72 -24.81 24.85 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.551 2.167 . . . . 1.0 113.352 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.75 -37.88 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.338 1.055 . . . . 1.0 110.935 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 -5.74 17.97 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.693 1.597 . . . . 1.0 113.722 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.0 t30 54.68 61.73 2.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 129.268 3.027 . . . . 1.0 113.514 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.4 mtm -138.61 168.04 20.65 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.008 1.323 . . . . 1.0 113.458 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 p -131.71 153.88 49.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.88 2.072 . . . . 1.0 110.997 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.089 1.356 . . . . 1.0 112.59 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.2 p -79.89 -15.57 57.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.882 1.438 . . . . 1.0 114.882 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 162.44 27.51 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 124.601 1.161 . . . . 1.0 112.142 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.09 -28.57 65.49 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.467 2.112 . . . . 1.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.88 -39.24 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.08 0.854 . . . . 1.0 110.11 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.19 -41.06 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.83 66.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.402 0.681 . . . . 1.0 111.176 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.458 0.703 . . . . 1.0 111.994 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.4 m -59.46 -35.98 75.11 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.984 0.811 . . . . 1.0 111.663 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -74.85 -50.58 16.55 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.476 -0.765 . . . . 1.0 111.433 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.94 -41.05 90.98 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.831 1.419 . . . . 1.0 114.831 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.72 -15.71 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.022 0.828 . . . . 1.0 113.23 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.24 154.83 43.22 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.747 0.689 . . . . 1.0 113.53 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -60.02 -26.8 66.37 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.717 0.807 . . . . 1.0 112.586 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -56.86 -43.17 80.93 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.463 1.505 . . . . 1.0 112.345 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.5 -42.43 78.62 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.538 -0.726 . . . . 1.0 110.842 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.77 -41.58 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.467 1.107 . . . . 1.0 111.43 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.93 -36.73 80.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.884 0.874 . . . . 1.0 111.511 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -67.86 -27.94 67.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 118.644 -0.693 . . . . 1.0 112.09 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.45 -52.24 66.05 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.224 1.374 . . . . 1.0 109.198 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -36.24 71.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.521 1.129 . . . . 1.0 112.289 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.29 -42.1 99.05 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.993 0.917 . . . . 1.0 111.941 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.93 -27.41 49.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.508 1.123 . . . . 1.0 113.284 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -74.92 51.04 0.48 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.681 1.992 . . . . 1.0 112.628 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 126.008 1.723 . . . . 1.0 111.565 -178.75 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 114.578 1.325 . . . . 1.0 114.578 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.35 -8.76 58.2 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.095 1.758 . . . . 1.0 113.91 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.29 133.05 55.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.944 1.297 . . . . 1.0 112.63 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -155.42 168.21 27.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.642 1.577 . . . . 1.0 110.806 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.7 170.1 42.87 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 1.0 113.618 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -147.62 163.27 37.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.604 1.162 . . . . 1.0 112.525 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.06 178.16 40.29 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.327 1.441 . . . . 1.0 112.758 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -151.77 166.47 31.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.937 1.295 . . . . 1.0 112.591 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.03 133.63 17.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.761 1.224 . . . . 1.0 110.985 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -154.49 123.95 6.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.904 1.681 . . . . 1.0 108.351 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -134.71 26.39 3.68 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.07 1.348 . . . . 1.0 111.933 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.8 mt -54.8 123.26 45.09 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.599 1.16 . . . . 1.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -76.71 178.77 7.18 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.416 3.411 . . . . 1.0 111.853 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.78 21.4 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.341 1.056 . . . . 1.0 113.712 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.44 167.88 31.46 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.34 1.448 . . . . 1.0 112.887 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -55.84 -40.2 72.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.801 1.037 . . . . 1.0 113.801 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.97 -44.19 91.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.569 0.622 . . . . 1.0 111.459 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.58 75.09 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.401 0.681 . . . . 1.0 111.714 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.34 -46.38 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.475 1.034 . . . . 1.0 110.622 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.25 -40.68 96.99 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.545 -0.722 . . . . 1.0 111.059 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -65.03 -44.13 90.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.246 0.618 . . . . 1.0 111.534 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.63 -42.56 97.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.174 1.39 . . . . 1.0 111.139 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.93 -49.19 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.246 1.018 . . . . 1.0 109.944 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -59.56 -45.97 90.26 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.924 0.89 . . . . 1.0 113.022 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.15 -16.38 63.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.671 1.188 . . . . 1.0 113.908 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -130.19 31.41 4.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.554 1.541 . . . . 1.0 111.677 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.32 -14.35 1.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.389 1.996 . . . . 1.0 116.389 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -81.82 -14.9 55.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.078 1.751 . . . . 1.0 113.533 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.6 pt -135.77 -21.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.666 1.586 . . . . 1.0 114.776 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -119.96 147.68 44.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.939 1.696 . . . . 1.0 108.849 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -151.61 168.52 24.71 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.961 0.904 . . . . 1.0 112.453 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.34 -19.69 62.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.277 1.431 . . . . 1.0 114.112 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.3 p -132.08 1.78 3.91 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.426 1.639 . . . . 1.0 115.426 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -162.49 147.07 12.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.018 1.281 . . . . 1.0 112.573 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.06 114.71 24.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -77.34 -33.56 55.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.59 -39.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.861 0.755 . . . . 1.0 110.996 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.91 -1.16 53.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.029 1.332 . . . . 1.0 112.654 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.4 m 40.42 55.53 2.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.817 2.447 . . . . 1.0 112.607 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.39 143.4 43.98 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.904 1.281 . . . . 1.0 112.631 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.8 t -87.97 146.36 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.752 1.221 . . . . 1.0 109.913 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.02 73.93 1.0 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.148 2.179 . . . . 1.0 108.275 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 pt -52.37 -17.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 117.075 2.25 . . . . 1.0 117.075 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t -154.92 161.45 41.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.371 1.468 . . . . 1.0 110.469 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.3 -39.03 74.91 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.539 -0.726 . . . . 1.0 111.855 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -59.01 -42.86 91.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.626 1.103 . . . . 1.0 112.18 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.86 -41.9 95.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.372 1.069 . . . . 1.0 110.72 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -61.86 -47.62 84.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.91 0.884 . . . . 1.0 111.024 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.69 -42.43 98.92 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.54 1.136 . . . . 1.0 111.339 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.358 0.527 . . . . 1.0 112.323 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -61.64 -51.51 68.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.806 0.669 . . . . 1.0 112.806 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.68 -22.87 66.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.709 1.003 . . . . 1.0 113.709 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -92.38 -13.59 29.91 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.354 1.062 . . . . 1.0 113.495 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 144.31 53.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.379 1.072 . . . . 1.0 113.462 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -60.05 -28.08 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.481 1.112 . . . . 1.0 112.422 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.14 -38.95 84.65 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.611 1.164 . . . . 1.0 111.533 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -65.42 -44.99 85.65 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.837 0.855 . . . . 1.0 110.897 176.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.24 91.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.828 0.74 . . . . 1.0 112.156 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -61.21 -46.84 88.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.623 -0.673 . . . . 1.0 111.508 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -62.68 -42.95 99.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.917 0.887 . . . . 1.0 111.746 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.49 -44.25 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.67 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -57.93 -43.49 86.32 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.303 1.41 . . . . 1.0 111.701 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -60.55 -52.11 66.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.233 1.013 . . . . 1.0 110.919 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -61.94 -39.61 92.7 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.024 0.75 . . . . 1.0 113.024 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.3 mmt -66.27 -41.6 89.67 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.297 -0.877 . . . . 1.0 111.018 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.27 53.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.77 1.228 . . . . 1.0 114.063 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.58 -39.41 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.359 1.063 . . . . 1.0 109.328 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -88.79 -57.92 2.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.306 1.042 . . . . 1.0 110.906 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -153.2 130.19 11.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.023 1.329 . . . . 1.0 111.049 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.88 -150.34 17.67 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.696 1.141 . . . . 1.0 112.5 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -116.11 130.78 56.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.366 1.466 . . . . 1.0 110.488 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -154.61 156.95 37.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.288 1.035 . . . . 1.0 111.638 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.7 m -75.0 -6.21 48.13 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.825 1.417 . . . . 1.0 114.825 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.83 96.81 14.4 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.071 1.348 . . . . 1.0 111.314 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -70.65 -14.06 32.96 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.936 2.424 . . . . 1.0 112.934 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.89 -3.36 15.54 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.328 1.451 . . . . 1.0 113.895 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -47.95 -11.31 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 128.663 2.785 . . . . 1.0 117.846 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -48.65 -29.31 4.23 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.3 2.24 . . . . 1.0 114.654 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -64.35 -14.79 58.36 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.17 1.174 . . . . 1.0 114.17 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -125.72 28.37 6.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.884 2.074 . . . . 1.0 111.859 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.76 178.25 7.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.028 1.731 . . . . 1.0 111.491 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.74 160.7 49.52 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.969 1.308 . . . . 1.0 112.322 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.32 160.39 6.72 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 124.353 3.369 . . . . 1.0 115.344 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.13 174.26 11.21 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.859 1.664 . . . . 1.0 111.656 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -136.42 162.94 31.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.369 1.468 . . . . 1.0 112.034 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.05 131.71 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.752 1.221 . . . . 1.0 110.503 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.5 t -56.74 -31.23 64.35 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.356 1.613 . . . . 1.0 115.356 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.55 6.66 5.23 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.288 1.218 . . . . 1.0 114.288 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.15 33.35 64.56 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.619 1.104 . . . . 1.0 115.434 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.41 32.1 3.39 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.778 1.231 . . . . 1.0 112.969 -176.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.16 131.77 48.43 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.804 -1.185 . . . . 1.0 111.697 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.53 -8.71 16.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.426 1.491 . . . . 1.0 113.892 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.1 m -75.58 58.3 1.04 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.729 2.012 . . . . 1.0 111.213 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -137.16 -18.91 1.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.087 1.755 . . . . 1.0 114.777 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 42.2 t -143.67 158.85 43.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.287 1.435 . . . . 1.0 111.932 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.7 t -141.59 88.4 9.73 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 125.385 1.474 . . . . 1.0 110.636 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.35 -27.58 85.36 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.574 2.849 . . . . 1.0 114.255 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.8 t -59.02 -33.92 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.656 1.182 . . . . 1.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.5 m -112.18 -8.71 13.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.463 1.505 . . . . 1.0 113.507 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.78 56.84 5.14 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 128.853 2.861 . . . . 1.0 112.319 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -136.92 167.57 21.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.494 1.518 . . . . 1.0 112.47 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -131.68 162.39 30.54 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.237 1.815 . . . . 1.0 110.971 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.14 146.83 52.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.338 1.055 . . . . 1.0 112.641 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -81.41 -11.71 59.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.156 1.382 . . . . 1.0 114.315 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 t -154.09 146.19 17.16 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 125.374 1.47 . . . . 1.0 111.471 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.6 -23.6 70.16 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.771 2.314 . . . . 1.0 112.504 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.29 -38.43 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.836 0.854 . . . . 1.0 110.37 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.04 -42.98 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.772 0.829 . . . . 1.0 109.786 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.34 59.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.068 0.947 . . . . 1.0 112.538 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -39.54 90.64 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.544 -0.723 . . . . 1.0 112.502 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.4 m -64.36 -40.12 95.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.683 0.793 . . . . 1.0 111.504 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.78 -47.89 81.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.477 0.711 . . . . 1.0 111.832 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.72 -16.17 5.91 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.36 2.78 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.209 1.404 . . . . 1.0 113.226 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.62 158.13 26.02 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.735 1.16 . . . . 1.0 112.897 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.62 -30.03 69.59 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 1.0 113.889 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.4 m -56.65 -40.85 76.18 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.055 0.942 . . . . 1.0 111.494 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -70.08 -44.2 69.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.751 0.82 . . . . 1.0 110.725 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.84 -40.17 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.842 1.257 . . . . 1.0 112.052 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.77 -34.61 73.22 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.158 -0.964 . . . . 1.0 111.339 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -75.06 -28.5 60.39 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 118.54 -0.743 . . . . 1.0 111.932 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.01 -43.7 86.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.986 1.266 . . . . 1.0 109.272 172.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -57.04 -30.35 64.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.515 1.126 . . . . 1.0 113.171 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.22 -26.99 65.34 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.204 0.911 . . . . 1.0 112.501 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -95.35 -41.6 8.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.354 1.461 . . . . 1.0 111.487 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -72.63 -20.83 61.2 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.212 1.189 . . . . 1.0 114.212 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.75 1.62 . . . . 1.0 110.632 -178.476 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -137.11 6.43 2.84 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.906 1.283 . . . . 1.0 113.542 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.94 -7.85 56.32 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.807 1.41 . . . . 1.0 114.807 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -74.61 155.3 37.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.773 1.229 . . . . 1.0 112.777 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.32 162.72 35.43 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.271 1.415 . . . . 1.0 112.76 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -158.22 175.58 13.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.93 1.692 . . . . 1.0 111.464 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 37.64 31.66 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.607 0.622 . . . . 1.0 113.58 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -136.69 170.09 16.64 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.101 1.76 . . . . 1.0 113.002 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.45 172.52 12.83 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.609 1.564 . . . . 1.0 112.177 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 tp -152.41 149.39 28.55 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.097 1.759 . . . . 1.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -75.25 9.47 2.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.074 1.75 . . . . 1.0 113.879 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -138.4 157.67 72.01 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 129.448 3.099 . . . . 1.0 108.295 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -61.09 146.04 98.15 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 121.692 1.595 . . . . 1.0 110.573 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p -143.97 27.81 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 122.447 1.118 . . . . 1.0 112.863 -176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.93 168.48 41.19 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.849 1.214 . . . . 1.0 113.248 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -59.41 -43.71 92.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.296 1.038 . . . . 1.0 112.331 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.07 -40.66 91.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.688 1.195 . . . . 1.0 112.225 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.85 92.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.76 0.424 . . . . 1.0 111.362 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.34 -43.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.351 0.523 . . . . 1.0 110.835 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.81 -46.29 87.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.576 -0.702 . . . . 1.0 111.429 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -65.39 -40.44 93.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.448 0.699 . . . . 1.0 111.808 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.63 -41.4 97.43 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.217 -0.927 . . . . 1.0 111.797 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.93 -44.72 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.966 0.906 . . . . 1.0 109.619 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -59.44 -42.46 91.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.939 1.295 . . . . 1.0 112.469 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.23 -18.52 61.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.464 1.105 . . . . 1.0 113.626 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -133.67 35.62 3.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.842 1.257 . . . . 1.0 113.377 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -57.42 -13.43 3.51 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.467 1.654 . . . . 1.0 115.467 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -78.37 -19.27 53.73 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.527 1.531 . . . . 1.0 113.175 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.1 pt -131.24 -19.81 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.59 1.556 . . . . 1.0 114.914 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -120.82 151.38 39.68 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.457 1.503 . . . . 1.0 109.189 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -155.27 170.88 20.84 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.057 0.943 . . . . 1.0 112.073 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.58 -19.09 56.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.695 1.198 . . . . 1.0 114.146 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -134.67 2.16 3.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.07 145.98 12.22 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.782 1.628 . . . . 1.0 113.566 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.24 116.09 26.57 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.362 1.465 . . . . 1.0 109.201 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.96 -36.54 64.6 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.22 -40.82 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.763 0.825 . . . . 1.0 111.347 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -100.26 4.81 44.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.154 1.382 . . . . 1.0 112.395 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t 36.3 55.54 1.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.805 2.842 . . . . 1.0 112.995 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.04 145.12 43.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.808 1.243 . . . . 1.0 113.137 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.3 t -87.85 147.79 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.002 1.321 . . . . 1.0 109.611 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.15 75.96 1.27 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.46 2.304 . . . . 1.0 108.766 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 pt -54.52 -16.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 117.092 2.256 . . . . 1.0 117.092 -174.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 t -154.84 159.9 40.87 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.083 1.353 . . . . 1.0 110.925 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.13 -36.83 73.52 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.848 0.859 . . . . 1.0 112.58 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 p -61.97 -40.78 96.77 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.454 1.024 . . . . 1.0 111.907 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.84 -42.39 81.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 1.0 110.485 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -59.86 -47.59 85.12 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.728 0.695 . . . . 1.0 110.925 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.9 -51.52 68.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.42 1.088 . . . . 1.0 110.878 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.18 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.8 0.666 . . . . 1.0 112.8 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -67.45 -51.43 51.64 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.784 -0.573 . . . . 1.0 112.131 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -67.34 -27.47 67.16 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.607 0.965 . . . . 1.0 113.607 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.54 -9.3 56.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.797 0.839 . . . . 1.0 113.138 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 139.66 58.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.896 1.072 . . . . 1.0 113.896 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.81 -31.63 72.87 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.6 1.16 . . . . 1.0 111.647 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.95 -45.09 78.84 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.111 . . . . 1.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.99 -49.22 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.66 0.784 . . . . 1.0 110.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.61 86.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.308 0.485 . . . . 1.0 112.308 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -64.4 -39.74 94.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.667 -0.646 . . . . 1.0 112.549 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -69.33 -41.75 76.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.1 0.864 . . . . 1.0 111.276 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.99 -41.84 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.216 1.007 . . . . 1.0 111.144 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -56.77 -43.46 80.83 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.627 1.103 . . . . 1.0 111.967 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.38 -46.79 72.26 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.185 0.994 . . . . 1.0 111.454 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.51 -44.95 85.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 1.0 111.675 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.9 mmt -61.31 -41.59 97.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.537 1.135 . . . . 1.0 111.676 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.09 92.65 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.497 0.719 . . . . 1.0 111.807 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.3 mt -66.47 -41.39 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.298 1.039 . . . . 1.0 110.361 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -78.43 4.32 13.45 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.912 1.685 . . . . 1.0 114.223 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.68 77.13 0.84 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.546 1.538 . . . . 1.0 112.745 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.1 173.67 40.13 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.748 1.642 . . . . 1.0 112.829 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.28 15.02 1.66 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.259 1.207 . . . . 1.0 114.259 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -145.78 158.97 43.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.991 1.316 . . . . 1.0 113.313 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -141.92 13.3 2.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.72 1.608 . . . . 1.0 112.933 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.42 155.59 60.82 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.988 2.115 . . . . 1.0 110.802 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.04 -21.38 36.9 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.804 2.336 . . . . 1.0 114.23 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.75 158.19 26.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.896 1.279 . . . . 1.0 112.551 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -126.78 -13.46 5.84 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -153.87 154.48 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.2 1.8 . . . . 1.0 110.385 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -133.53 31.4 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.116 1.366 . . . . 1.0 113.277 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -57.94 153.75 13.67 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.9 1.28 . . . . 1.0 113.308 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.29 27.21 1.42 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 1.0 113.749 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.11 143.13 79.23 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 124.059 0.944 . . . . 1.0 112.988 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.24 157.8 49.64 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.577 2.851 . . . . 1.0 113.428 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.39 16.71 1.16 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.245 1.418 . . . . 1.0 113.381 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.25 155.29 40.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.689 1.196 . . . . 1.0 113.535 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.2 mm -68.98 138.97 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.351 1.06 . . . . 1.0 110.274 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 t -63.39 144.79 56.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.248 1.019 . . . . 1.0 113.215 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.69 -6.96 8.97 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.103 1.361 . . . . 1.0 113.242 173.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.6 6.76 36.01 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.865 2.174 . . . . 1.0 113.006 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -130.39 -28.77 2.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.852 1.261 . . . . 1.0 113.838 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.4 -19.67 62.23 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.682 1.128 . . . . 1.0 113.819 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -62.82 -0.75 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.218 2.207 . . . . 1.0 116.226 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.3 p -133.85 16.22 3.91 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.572 1.949 . . . . 1.0 112.055 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -118.35 -20.03 8.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.9 1.68 . . . . 1.0 113.4 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 p -137.54 166.24 24.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.5 1.52 . . . . 1.0 113.464 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -146.06 89.66 5.98 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 125.845 1.658 . . . . 1.0 110.038 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -68.26 -20.96 42.39 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.766 2.311 . . . . 1.0 113.18 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -29.09 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.591 1.556 . . . . 1.0 111.596 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.8 m -123.75 -6.7 7.97 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.395 1.878 . . . . 1.0 114.348 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 56.6 57.44 4.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.844 2.858 . . . . 1.0 112.778 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.1 mtm -138.04 171.26 14.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.542 1.537 . . . . 1.0 112.757 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 p -131.95 163.89 27.35 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.254 1.822 . . . . 1.0 112.173 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.21 147.18 52.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.738 1.215 . . . . 1.0 113.164 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.9 p -79.19 -16.69 56.2 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.104 1.362 . . . . 1.0 114.453 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 t -155.75 145.15 15.24 Favored Pre-proline 0 N--CA 1.471 0.602 0 C-N-CA 125.225 1.41 . . . . 1.0 111.517 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.35 -34.58 50.7 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.676 2.918 . . . . 1.0 114.376 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.94 -38.1 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.587 -0.695 . . . . 1.0 111.279 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.62 -39.81 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.627 0.771 . . . . 1.0 109.872 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.81 79.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.318 0.647 . . . . 1.0 111.095 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.7 -43.14 89.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.016 0.526 . . . . 1.0 111.96 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.0 m -65.17 -39.53 93.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.296 0.638 . . . . 1.0 111.885 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -63.63 -47.87 79.6 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.573 -0.704 . . . . 1.0 111.746 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.11 -15.01 4.53 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.49 1.92 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.094 1.358 . . . . 1.0 113.415 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.68 153.61 24.12 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.522 1.058 . . . . 1.0 112.508 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -58.01 -29.66 65.47 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.625 1.343 . . . . 1.0 114.625 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.5 m -58.75 -44.13 90.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.822 0.849 . . . . 1.0 110.845 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -70.48 -43.58 69.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.787 0.835 . . . . 1.0 111.52 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.6 -37.73 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.675 1.19 . . . . 1.0 111.817 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -57.84 -43.52 85.91 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.578 -0.702 . . . . 1.0 110.132 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.06 -31.39 67.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 117.666 -1.159 . . . . 1.0 112.845 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.31 -42.46 73.73 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.909 1.686 . . . . 1.0 110.262 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -64.83 -45.11 87.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.195 1.398 . . . . 1.0 111.651 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.47 -35.46 80.53 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.787 0.835 . . . . 1.0 112.509 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -81.58 -8.4 59.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.329 1.452 . . . . 1.0 112.768 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 54.17 33.19 17.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.292 2.237 . . . . 1.0 112.785 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 126.018 1.727 . . . . 1.0 111.187 -176.182 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 121.024 0.44 . . . . 1.0 111.891 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -151.04 159.4 44.56 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.271 1.428 . . . . 1.0 111.582 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.38 6.09 1.1 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.418 1.887 . . . . 1.0 113.554 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.26 160.72 30.74 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.303 1.041 . . . . 1.0 112.734 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.66 172.85 43.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.696 1.617 . . . . 1.0 112.57 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -61.22 145.41 51.31 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.761 0.825 . . . . 1.0 113.093 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.07 18.27 0.33 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.382 1.944 . . . . 1.0 113.399 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.85 132.07 48.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.993 1.317 . . . . 1.0 112.298 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.04 166.12 34.42 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.046 1.338 . . . . 1.0 112.364 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 tp -155.09 138.41 15.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.071 1.748 . . . . 1.0 109.776 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.09 52.75 1.29 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.897 1.679 . . . . 1.0 110.979 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -56.21 149.82 34.63 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 114.807 1.41 . . . . 1.0 114.807 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.77 156.72 18.02 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.192 3.262 . . . . 1.0 115.098 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -142.2 21.66 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.089 1.356 . . . . 1.0 112.496 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.43 165.74 30.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 126.08 1.8 . . . . 1.0 112.346 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -55.95 -37.03 68.45 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.05 -44.64 91.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.744 0.702 . . . . 1.0 111.861 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.85 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 1.0 111.591 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.39 -46.28 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.989 0.813 . . . . 1.0 110.766 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -61.22 -44.42 97.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.377 0.671 . . . . 1.0 111.038 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -65.96 -39.33 90.33 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.651 0.66 . . . . 1.0 112.423 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.51 -43.09 97.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.239 0.927 . . . . 1.0 110.786 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.86 -50.11 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.372 1.069 . . . . 1.0 110.067 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.794 1.637 . . . . 1.0 113.111 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -74.91 -15.72 60.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.679 1.192 . . . . 1.0 113.757 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -134.41 41.98 2.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.916 1.287 . . . . 1.0 112.806 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -54.69 -18.85 5.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.186 1.55 . . . . 1.0 115.186 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -75.02 -20.31 59.67 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 1.0 113.821 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.7 pt -130.09 -16.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 115.024 1.49 . . . . 1.0 115.024 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -129.84 148.91 51.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.081 1.352 . . . . 1.0 110.64 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 p -149.71 170.12 19.45 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.941 1.297 . . . . 1.0 110.671 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.61 -10.28 25.34 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.179 0.807 . . . . 1.0 113.179 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.0 p -131.71 -1.86 3.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 115.637 1.718 . . . . 1.0 115.637 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -161.97 146.43 12.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.831 1.651 . . . . 1.0 113.604 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -117.43 114.87 24.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.075 1.35 . . . . 1.0 108.809 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -74.79 -36.28 62.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.397 0.888 . . . . 1.0 113.397 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.45 -37.03 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.786 0.834 . . . . 1.0 111.478 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -104.0 8.18 36.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.532 1.533 . . . . 1.0 112.317 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 33.75 55.76 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.961 2.904 . . . . 1.0 114.018 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.08 144.36 43.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.604 1.162 . . . . 1.0 113.161 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.02 148.57 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.111 1.364 . . . . 1.0 109.674 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.67 74.86 1.51 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.551 2.34 . . . . 1.0 108.923 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -15.1 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 117.17 2.285 . . . . 1.0 117.17 -174.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 m -155.66 158.12 37.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.472 1.509 . . . . 1.0 111.212 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -56.75 -36.31 69.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.181 0.992 . . . . 1.0 113.124 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -61.74 -41.15 97.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.015 1.28 . . . . 1.0 112.212 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -68.53 -40.06 80.92 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.564 -0.71 . . . . 1.0 110.402 174.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.76 -47.77 84.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.623 0.647 . . . . 1.0 110.563 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.19 -41.7 97.28 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.305 1.042 . . . . 1.0 111.892 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.77 74.49 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.606 0.639 . . . . 1.0 112.0 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.74 -51.37 62.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.196 0.598 . . . . 1.0 112.199 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.85 -18.75 65.55 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.191 1.182 . . . . 1.0 114.191 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -98.28 -11.9 22.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.28 1.032 . . . . 1.0 112.85 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 t -59.82 136.54 58.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.039 0.936 . . . . 1.0 111.977 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -63.97 -29.97 71.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.356 0.663 . . . . 1.0 112.217 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.83 -45.53 74.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.076 0.95 . . . . 1.0 110.254 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -61.98 -49.21 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.012 0.925 . . . . 1.0 110.273 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.33 79.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.925 0.89 . . . . 1.0 112.304 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.72 -45.48 89.78 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.778 -0.576 . . . . 1.0 111.583 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.07 -43.69 91.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.519 0.728 . . . . 1.0 111.888 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.45 -45.21 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.625 0.77 . . . . 1.0 110.826 176.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -43.24 89.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.111 0.869 . . . . 1.0 111.742 175.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -66.94 -44.24 81.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.356 1.063 . . . . 1.0 111.626 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.05 -44.81 94.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.293 1.437 . . . . 1.0 111.827 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.1 mmt -58.95 -41.28 87.07 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.867 0.867 . . . . 1.0 111.582 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.64 81.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.193 0.597 . . . . 1.0 112.404 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.77 -38.92 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.559 1.144 . . . . 1.0 111.114 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.11 -28.96 70.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.493 1.517 . . . . 1.0 113.879 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.57 127.98 33.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.836 0.855 . . . . 1.0 110.97 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 169.35 -164.55 38.1 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.759 0.695 . . . . 1.0 114.225 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -71.96 77.79 0.91 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.974 1.71 . . . . 1.0 112.34 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -57.52 -28.97 63.96 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.91 1.684 . . . . 1.0 114.194 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.4 m -143.29 166.46 24.66 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.437 1.895 . . . . 1.0 110.9 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.5 m -136.67 152.6 74.8 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.185 1.394 . . . . 1.0 112.127 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.77 -6.68 17.8 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.727 2.951 . . . . 1.0 114.381 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.42 167.85 5.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.368 1.467 . . . . 1.0 113.668 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.34 -32.58 72.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.93 1.292 . . . . 1.0 113.857 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -67.61 168.75 10.56 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.324 1.45 . . . . 1.0 113.077 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -142.46 174.63 10.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.726 1.21 . . . . 1.0 112.397 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.44 153.53 7.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.95 2.1 . . . . 1.0 113.453 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.87 173.32 7.53 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.764 1.225 . . . . 1.0 112.62 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.28 151.97 62.96 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.311 1.445 . . . . 1.0 111.581 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.93 163.17 39.67 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.387 2.725 . . . . 1.0 113.223 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.17 16.97 2.99 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.504 1.522 . . . . 1.0 113.06 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -75.1 -0.76 20.2 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.052 1.341 . . . . 1.0 114.367 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.08 128.78 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 1.0 108.061 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.2 p -60.53 -37.39 81.04 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.867 1.062 . . . . 1.0 113.867 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.34 -41.64 72.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.514 1.126 . . . . 1.0 112.404 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.34 -7.14 39.97 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.97 1.548 . . . . 1.0 116.97 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -132.4 5.99 4.1 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.915 1.858 . . . . 1.0 113.686 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.93 -19.85 2.0 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.999 2.52 . . . . 1.0 116.49 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -147.26 159.38 43.72 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 127.995 2.518 . . . . 1.0 108.097 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m 70.91 -5.6 1.46 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.518 2.327 . . . . 1.0 114.607 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -136.39 -21.55 1.35 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.519 1.927 . . . . 1.0 113.238 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.6 p -149.3 172.42 14.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.199 . . . . 1.0 112.152 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.1 t -145.39 93.84 5.31 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.229 1.411 . . . . 1.0 110.036 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.45 -22.03 45.87 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.529 2.153 . . . . 1.0 113.439 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.0 -31.45 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.381 1.073 . . . . 1.0 111.255 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.2 m -112.33 -10.22 13.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.976 1.71 . . . . 1.0 113.561 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.3 t30 57.18 58.3 4.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.712 2.805 . . . . 1.0 112.545 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.4 mtm -136.87 168.07 20.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.346 1.458 . . . . 1.0 113.066 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -130.96 156.4 45.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.637 1.975 . . . . 1.0 111.435 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.31 147.07 52.54 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.94 1.296 . . . . 1.0 112.541 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 p -77.59 -17.37 57.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.525 1.306 . . . . 1.0 114.525 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -159.29 148.47 14.43 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.026 1.33 . . . . 1.0 112.13 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.54 -30.73 36.88 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.583 2.855 . . . . 1.0 113.827 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -39.14 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.275 1.03 . . . . 1.0 111.054 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.64 -41.19 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.007 0.923 . . . . 1.0 109.679 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.22 -50.93 71.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.588 0.755 . . . . 1.0 112.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.95 -40.74 98.57 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.337 -0.852 . . . . 1.0 112.072 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.7 m -59.94 -37.85 80.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.689 0.796 . . . . 1.0 111.357 176.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -68.56 -49.77 56.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.294 0.638 . . . . 1.0 110.945 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -55.01 -35.69 64.66 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.731 1.011 . . . . 1.0 113.731 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.82 -5.77 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 113.849 1.055 . . . . 1.0 113.849 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.38 159.34 27.23 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.588 1.089 . . . . 1.0 113.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -61.99 -24.94 67.34 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.182 1.178 . . . . 1.0 114.182 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -58.17 -41.13 83.2 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.11 0.868 . . . . 1.0 110.971 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -70.11 -46.15 65.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.283 0.633 . . . . 1.0 110.91 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.74 -39.34 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.077 1.351 . . . . 1.0 112.271 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.91 -39.97 79.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.821 0.849 . . . . 1.0 110.729 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -74.3 -31.03 62.34 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.308 -0.853 . . . . 1.0 112.225 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.4 -49.2 78.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.336 1.425 . . . . 1.0 109.175 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -59.57 -39.99 85.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.45 1.1 . . . . 1.0 111.888 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.12 -13.53 48.5 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.519 1.528 . . . . 1.0 113.837 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.03 -33.05 7.01 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.527 1.531 . . . . 1.0 111.33 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.93 -37.19 83.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 1.0 111.723 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 C--O 1.24 0.601 0 C-N-CA 125.695 1.598 . . . . 1.0 111.999 -176.259 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.387 0.884 . . . . 1.0 113.387 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.33 43.58 0.18 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.537 1.935 . . . . 1.0 113.652 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.43 -45.37 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 1.0 112.139 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -155.94 154.5 31.26 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.826 1.25 . . . . 1.0 112.017 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.06 172.38 43.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.236 1.398 . . . . 1.0 112.941 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -140.89 13.14 2.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.713 1.205 . . . . 1.0 114.177 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 171.49 44.56 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.913 1.244 . . . . 1.0 114.565 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -143.06 9.24 1.69 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.458 1.503 . . . . 1.0 114.281 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.17 9.56 1.96 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 115.466 1.654 . . . . 1.0 115.466 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -143.28 118.21 9.99 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.268 1.427 . . . . 1.0 111.445 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.51 62.44 6.17 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.097 1.359 . . . . 1.0 112.191 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -136.2 142.95 41.8 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.169 0.988 . . . . 1.0 113.588 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.88 171.12 15.85 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.96 3.773 . . . . 1.0 111.431 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -139.32 110.61 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.216 1.406 . . . . 1.0 109.611 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.04 170.29 46.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.726 1.155 . . . . 1.0 114.588 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -55.9 -43.37 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.32 -47.07 84.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.023 0.929 . . . . 1.0 112.32 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.12 78.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 122.048 -0.407 . . . . 1.0 111.807 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.27 -46.15 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.881 0.764 . . . . 1.0 110.674 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.33 -40.95 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.428 -0.795 . . . . 1.0 111.215 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -65.05 -44.14 90.03 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.177 0.591 . . . . 1.0 111.389 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.73 -42.18 96.8 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.908 1.283 . . . . 1.0 111.332 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.3 -50.2 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.266 1.026 . . . . 1.0 109.751 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -61.53 -41.63 97.63 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.52 0.933 . . . . 1.0 113.52 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.78 -14.83 62.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.13 0.972 . . . . 1.0 113.444 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.1 38.0 3.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.293 1.437 . . . . 1.0 112.113 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -52.7 -20.54 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -74.4 -19.79 60.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.781 1.632 . . . . 1.0 113.792 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 pt -132.61 -18.5 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -125.62 142.76 51.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.133 1.373 . . . . 1.0 109.575 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 p -147.75 171.99 14.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.918 1.287 . . . . 1.0 110.946 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.06 -10.82 33.12 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.4 p -131.89 -3.02 3.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.629 1.714 . . . . 1.0 115.629 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -160.84 145.8 14.19 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.877 1.671 . . . . 1.0 113.877 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.53 114.33 23.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.029 1.332 . . . . 1.0 108.491 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.9 -33.49 57.79 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.495 0.924 . . . . 1.0 113.495 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.62 -29.86 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.079 0.952 . . . . 1.0 111.407 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -112.58 8.53 19.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.122 1.769 . . . . 1.0 112.584 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m 35.13 54.49 0.75 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.67 2.788 . . . . 1.0 113.681 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.02 145.07 43.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.485 1.114 . . . . 1.0 113.584 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -87.96 147.6 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.144 1.378 . . . . 1.0 109.546 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.9 mt -121.33 76.91 1.28 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.365 2.266 . . . . 1.0 108.724 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 pt -53.02 -17.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 117.246 2.313 . . . . 1.0 117.246 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 t -156.88 162.49 39.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.311 1.445 . . . . 1.0 110.616 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -58.35 -35.84 72.55 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.419 -0.801 . . . . 1.0 111.896 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 p -60.79 -43.06 98.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.217 . . . . 1.0 111.909 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -65.41 -42.27 92.72 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.347 1.059 . . . . 1.0 110.755 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -61.11 -47.81 84.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.49 0.716 . . . . 1.0 110.797 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.07 -42.18 98.93 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.693 1.197 . . . . 1.0 111.654 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -43.29 71.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.524 0.602 . . . . 1.0 112.069 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.86 -51.43 64.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.938 0.79 . . . . 1.0 111.659 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -64.14 -17.84 63.86 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.238 1.199 . . . . 1.0 114.238 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -105.5 -2.62 23.42 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.899 1.279 . . . . 1.0 113.161 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.8 t -72.85 142.08 47.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.518 1.127 . . . . 1.0 113.795 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.179 -0.95 . . . . 1.0 112.036 174.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.99 -35.78 77.09 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.701 1.2 . . . . 1.0 111.207 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -70.27 -40.63 74.22 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 1.0 109.736 173.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.26 82.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.945 0.72 . . . . 1.0 112.945 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -62.66 -32.16 73.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.245 -0.909 . . . . 1.0 112.602 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -74.5 -38.98 62.69 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.678 -0.639 . . . . 1.0 111.127 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.02 -36.33 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.592 0.757 . . . . 1.0 110.628 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -56.81 -36.97 70.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.518 1.054 . . . . 1.0 111.663 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -63.27 -49.07 75.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.602 0.761 . . . . 1.0 110.469 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.45 -42.67 99.12 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.414 1.086 . . . . 1.0 111.8 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.5 mmt -64.76 -47.53 77.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.255 1.022 . . . . 1.0 111.904 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.16 -28.99 43.75 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.424 1.268 . . . . 1.0 114.424 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.69 -20.65 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.001 1.32 . . . . 1.0 112.021 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 -10.24 7.49 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.21 1.404 . . . . 1.0 113.725 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.59 146.78 53.07 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.764 1.625 . . . . 1.0 111.805 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.36 -169.21 37.53 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.953 0.787 . . . . 1.0 114.213 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.82 174.22 11.18 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.089 1.755 . . . . 1.0 111.818 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -145.98 165.41 29.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 1.0 112.379 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -149.35 177.33 9.77 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.663 1.585 . . . . 1.0 112.133 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.0 133.29 10.18 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.399 1.479 . . . . 1.0 111.47 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.87 52.13 3.89 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 124.788 3.658 . . . . 1.0 112.579 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.52 63.06 0.39 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.649 1.979 . . . . 1.0 113.429 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.29 164.02 16.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.78 2.032 . . . . 1.0 111.864 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -133.01 149.29 52.23 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.287 1.835 . . . . 1.0 110.185 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -136.1 15.12 3.29 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.645 1.35 . . . . 1.0 114.645 -175.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -146.14 170.9 15.76 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.348 1.459 . . . . 1.0 112.968 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.14 169.76 19.31 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.637 1.575 . . . . 1.0 112.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.1 151.4 90.2 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 124.646 1.178 . . . . 1.0 113.264 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -71.82 166.52 29.26 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.713 2.942 . . . . 1.0 113.134 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.97 33.38 1.56 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.601 1.56 . . . . 1.0 112.387 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.9 -16.04 37.58 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.808 1.781 . . . . 1.0 115.808 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.21 58.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 126.119 1.767 . . . . 1.0 110.387 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.4 p -139.87 -14.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.32 1.848 . . . . 1.0 113.788 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.98 -19.77 62.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.675 1.19 . . . . 1.0 113.559 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.92 -177.63 44.17 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.943 1.259 . . . . 1.0 113.859 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.06 153.35 37.73 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.342 1.457 . . . . 1.0 113.188 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -141.36 151.28 43.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.849 1.66 . . . . 1.0 111.185 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -141.08 32.04 1.76 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.905 1.682 . . . . 1.0 113.451 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p -61.0 -0.92 0.35 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 118.539 2.792 . . . . 1.0 118.539 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -130.5 -21.25 2.85 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.193 2.294 . . . . 1.0 117.193 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -144.13 163.26 34.09 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.377 1.444 . . . . 1.0 113.996 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 t -144.26 91.35 6.42 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 126.109 1.764 . . . . 1.0 110.415 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.69 -20.05 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.946 2.431 . . . . 1.0 113.635 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.03 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.771 0.829 . . . . 1.0 110.27 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 78.3 m -98.05 -10.37 24.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.158 1.383 . . . . 1.0 113.578 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 21.0 m120 60.87 55.24 3.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.877 2.471 . . . . 1.0 111.635 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.4 mtm -135.55 168.18 19.72 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.133 1.373 . . . . 1.0 113.41 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.92 163.19 28.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.039 2.136 . . . . 1.0 110.174 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -130.97 145.67 52.12 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.09 0.774 . . . . 1.0 113.09 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -76.46 -18.89 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.095 1.358 . . . . 1.0 114.565 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -155.82 148.43 17.87 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 125.072 1.349 . . . . 1.0 112.001 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -50.67 -34.01 42.01 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.762 2.975 . . . . 1.0 113.757 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.47 -44.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.357 1.063 . . . . 1.0 110.773 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.83 -41.49 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.677 0.791 . . . . 1.0 110.348 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.66 54.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.161 0.584 . . . . 1.0 112.228 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.61 -42.76 99.33 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.314 -0.866 . . . . 1.0 112.321 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 m -59.75 -36.33 76.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.535 0.734 . . . . 1.0 112.12 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.81 -50.16 63.48 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.664 0.666 . . . . 1.0 111.054 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.95 -36.27 76.74 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.954 1.094 . . . . 1.0 113.954 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -85.52 -9.05 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.354 0.872 . . . . 1.0 113.354 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.93 159.4 23.68 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.82 1.2 . . . . 1.0 113.717 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -16.97 63.53 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 m -58.48 -39.92 81.29 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.335 1.054 . . . . 1.0 111.186 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.64 -44.48 74.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.286 0.634 . . . . 1.0 110.404 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.85 -38.74 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.236 1.414 . . . . 1.0 112.293 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.32 -39.47 75.91 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.09 0.859 . . . . 1.0 110.646 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.04 -38.98 69.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.279 -0.867 . . . . 1.0 111.326 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.37 -48.71 73.86 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.267 1.394 . . . . 1.0 110.068 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.16 -41.86 93.71 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.896 1.279 . . . . 1.0 111.706 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.75 -44.77 96.24 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.986 0.914 . . . . 1.0 111.201 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -63.84 -41.02 97.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.739 0.815 . . . . 1.0 111.813 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.57 -38.21 83.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.471 0.709 . . . . 1.0 112.25 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 125.03 1.332 . . . . 1.0 110.763 178.126 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 CA-C-O 121.221 0.534 . . . . 1.0 112.235 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.27 -17.68 4.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.698 2.399 . . . . 1.0 115.62 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -132.58 14.41 4.47 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.896 1.678 . . . . 1.0 111.997 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -74.76 -23.07 58.48 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.82 -1.175 . . . . 1.0 113.334 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.87 -175.55 38.95 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.089 1.328 . . . . 1.0 113.406 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -133.44 18.19 3.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.581 1.553 . . . . 1.0 113.886 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.48 -175.89 40.81 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.247 1.403 . . . . 1.0 113.142 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.0 127.28 31.29 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.633 1.173 . . . . 1.0 112.403 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.0 164.59 34.15 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.194 1.398 . . . . 1.0 112.029 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -124.68 74.54 1.35 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.529 1.132 . . . . 1.0 112.278 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.02 56.66 1.64 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.102 1.761 . . . . 1.0 110.242 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 mp -142.91 161.1 50.53 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 127.419 2.288 . . . . 1.0 111.74 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.09 156.81 56.81 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.039 2.493 . . . . 1.0 111.772 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.73 30.39 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.565 1.146 . . . . 1.0 112.085 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.87 164.22 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.699 1.142 . . . . 1.0 113.175 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.03 -43.13 81.6 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.648 0.779 . . . . 1.0 113.027 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -60.52 -43.02 97.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.002 0.921 . . . . 1.0 111.939 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.32 85.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.968 0.507 . . . . 1.0 111.35 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.74 -46.04 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.513 0.597 . . . . 1.0 110.66 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.43 -43.56 96.67 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.553 -0.717 . . . . 1.0 111.495 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -64.24 -44.32 92.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.303 0.641 . . . . 1.0 111.511 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.52 -43.28 93.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.81 1.244 . . . . 1.0 111.533 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.19 -50.06 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.024 0.93 . . . . 1.0 110.021 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -60.7 -42.32 96.95 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.785 1.031 . . . . 1.0 113.785 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.59 -12.93 60.31 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.554 0.946 . . . . 1.0 113.554 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -128.18 35.72 4.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.413 1.485 . . . . 1.0 111.856 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -54.07 -18.22 3.44 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.439 1.644 . . . . 1.0 115.439 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -75.38 -16.05 60.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.709 1.604 . . . . 1.0 113.685 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.2 pt -136.5 -22.13 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.316 1.446 . . . . 1.0 114.812 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -119.84 154.74 33.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.495 1.518 . . . . 1.0 109.724 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.9 p -156.19 170.22 22.73 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.779 0.831 . . . . 1.0 111.585 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.85 -18.97 59.0 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.787 1.032 . . . . 1.0 113.787 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -135.81 6.01 3.15 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.038 1.866 . . . . 1.0 116.038 -176.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -162.03 144.62 11.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.602 1.546 . . . . 1.0 113.25 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -117.54 115.0 24.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.013 1.325 . . . . 1.0 109.685 172.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -77.14 -32.09 56.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.64 -35.92 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 123.811 0.844 . . . . 1.0 111.752 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -105.48 7.3 32.99 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.592 1.557 . . . . 1.0 112.219 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m 36.43 54.01 1.04 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.88 2.872 . . . . 1.0 113.717 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.28 148.98 46.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.461 1.104 . . . . 1.0 113.671 -176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.48 147.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.088 1.355 . . . . 1.0 109.405 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -126.09 73.54 1.37 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.257 2.223 . . . . 1.0 108.446 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -52.85 -14.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 117.214 2.301 . . . . 1.0 117.214 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -153.74 159.46 41.97 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.105 1.362 . . . . 1.0 110.933 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.81 -36.58 70.09 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.684 0.794 . . . . 1.0 111.583 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -59.05 -37.95 78.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.698 1.135 . . . . 1.0 112.799 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -70.85 -44.91 65.46 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.506 0.722 . . . . 1.0 109.875 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.71 -47.22 85.33 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.03 0.932 . . . . 1.0 111.099 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.99 -44.98 96.61 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.617 1.167 . . . . 1.0 111.724 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.45 80.07 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.082 0.855 . . . . 1.0 112.122 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -64.57 -51.3 63.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.716 0.807 . . . . 1.0 112.693 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.2 -21.67 62.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.341 1.237 . . . . 1.0 114.341 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -91.24 -12.53 34.95 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.355 0.98 . . . . 1.0 112.962 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.9 t -77.53 130.62 37.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.113 0.965 . . . . 1.0 111.624 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -54.95 -26.98 40.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.28 -36.25 75.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.091 0.956 . . . . 1.0 111.485 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.98 -49.21 73.4 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.4 0.68 . . . . 1.0 110.696 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.85 85.94 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.93 -0.481 . . . . 1.0 111.934 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -57.71 -47.05 83.49 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.935 -0.478 . . . . 1.0 111.383 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.81 -34.34 77.61 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.062 -0.97 . . . . 1.0 112.44 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.99 -45.42 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.655 1.116 . . . . 1.0 111.2 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -61.16 -41.0 95.97 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.467 1.031 . . . . 1.0 111.069 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -61.24 -51.08 70.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.016 1.326 . . . . 1.0 110.016 173.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -60.13 -40.39 89.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.392 1.077 . . . . 1.0 113.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.0 mmt -57.54 -32.64 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.629 0.772 . . . . 1.0 112.073 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.52 -19.16 62.93 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 113.192 0.812 . . . . 1.0 113.192 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.1 mm -93.65 -40.12 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.569 . . . . 1.0 110.524 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -140.66 93.68 2.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.622 1.969 . . . . 1.0 109.867 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -57.74 158.19 6.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.064 1.505 . . . . 1.0 115.064 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.33 -179.14 44.76 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.816 1.674 . . . . 1.0 112.14 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -139.8 145.64 38.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.808 1.243 . . . . 1.0 111.504 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -156.56 173.73 16.49 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.199 1.8 . . . . 1.0 110.293 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -143.32 164.79 29.26 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.584 1.154 . . . . 1.0 113.711 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.3 m -142.81 160.63 52.6 Favored Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 127.036 2.134 . . . . 1.0 110.399 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.81 106.39 0.14 Allowed 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.934 3.089 . . . . 1.0 113.28 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.03 31.07 1.14 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.613 1.565 . . . . 1.0 112.675 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -128.38 165.6 20.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.062 1.745 . . . . 1.0 111.816 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -146.53 179.96 7.18 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.12 1.768 . . . . 1.0 112.547 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.78 163.17 19.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.85 1.26 . . . . 1.0 112.769 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -121.41 96.17 4.97 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.818 1.647 . . . . 1.0 110.292 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 171.2 5.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.199 1.4 . . . . 1.0 113.731 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.05 153.43 63.68 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 126.123 1.769 . . . . 1.0 110.806 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.52 143.43 62.89 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.04 2.493 . . . . 1.0 112.89 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.95 166.72 32.58 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.259 1.824 . . . . 1.0 110.938 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.5 146.76 26.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.445 1.098 . . . . 1.0 111.524 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.86 53.58 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 126.876 2.07 . . . . 1.0 108.365 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -65.93 165.84 12.41 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.355 1.062 . . . . 1.0 113.042 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.72 -17.33 5.7 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.593 1.957 . . . . 1.0 114.947 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -135.13 25.84 3.3 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.434 1.968 . . . . 1.0 112.643 177.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -146.69 56.35 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.729 1.611 . . . . 1.0 110.794 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 172.12 13.17 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.952 1.301 . . . . 1.0 113.2 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -133.2 38.8 3.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.842 1.657 . . . . 1.0 112.533 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.6 p -132.45 -21.13 2.3 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.563 1.545 . . . . 1.0 113.248 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -121.08 -10.28 9.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.754 2.022 . . . . 1.0 111.519 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.1 t -146.16 162.03 38.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.607 1.563 . . . . 1.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.4 t -142.42 95.82 6.49 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 127.104 2.162 . . . . 1.0 109.176 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.36 -22.0 29.92 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.691 2.261 . . . . 1.0 113.58 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.06 -23.48 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 1.0 111.745 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -122.51 -8.52 8.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.361 1.864 . . . . 1.0 113.701 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 55.08 58.15 4.97 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.674 2.79 . . . . 1.0 112.576 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtm -135.4 169.39 17.57 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.486 1.514 . . . . 1.0 112.538 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.4 p -131.07 157.96 41.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.055 1.742 . . . . 1.0 111.994 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.444 1.498 . . . . 1.0 112.3 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.8 p -71.9 -30.54 65.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.4 m -150.48 153.89 34.96 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.121 1.369 . . . . 1.0 112.184 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.22 -40.07 42.68 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 124.182 3.255 . . . . 1.0 115.597 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -37.85 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.473 -0.767 . . . . 1.0 111.696 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.44 -40.08 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.666 0.786 . . . . 1.0 110.06 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.8 84.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.936 0.494 . . . . 1.0 110.97 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.62 -43.4 89.64 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.546 -0.721 . . . . 1.0 111.515 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 m -60.77 -36.2 78.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.501 0.72 . . . . 1.0 112.211 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -70.15 -50.22 42.66 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.717 -0.615 . . . . 1.0 111.248 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -56.03 -31.21 62.91 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.462 1.282 . . . . 1.0 114.462 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.43 -4.72 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.59 157.85 26.91 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.419 1.009 . . . . 1.0 114.46 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -57.45 -32.62 67.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.438 1.095 . . . . 1.0 113.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -56.75 -43.88 81.19 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.586 1.154 . . . . 1.0 111.255 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -70.25 -42.68 71.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.962 -0.461 . . . . 1.0 111.615 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.93 -37.65 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.953 0.901 . . . . 1.0 111.581 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.42 -40.11 74.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.408 -0.808 . . . . 1.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.9 -22.83 55.69 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.083 0.953 . . . . 1.0 113.072 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.64 -50.91 65.24 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.314 1.416 . . . . 1.0 108.39 172.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -58.68 -32.12 68.84 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.836 0.854 . . . . 1.0 112.453 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.7 tp -66.86 -15.03 63.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.002 1.321 . . . . 1.0 113.094 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -115.01 -30.49 6.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.165 1.786 . . . . 1.0 112.924 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.08 -35.2 80.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.388 1.075 . . . . 1.0 112.41 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 124.446 1.098 . . . . 1.0 111.574 178.361 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.74 1.015 . . . . 1.0 113.74 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -145.55 170.53 16.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.091 1.356 . . . . 1.0 113.11 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.09 174.79 14.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.715 2.006 . . . . 1.0 110.944 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -136.77 -48.47 0.62 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.509 0.929 . . . . 1.0 113.509 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.77 172.53 35.68 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.705 0.669 . . . . 1.0 114.403 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -143.67 170.94 14.91 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.571 1.948 . . . . 1.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.01 -28.2 0.04 OUTLIER Glycine 0 CA--C 1.535 1.341 0 N-CA-C 115.384 0.914 . . . . 1.0 115.384 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.06 164.17 18.44 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.368 1.084 . . . . 1.0 112.172 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.72 145.77 38.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.211 . . . . 1.0 112.543 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -160.6 160.25 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.281 2.232 . . . . 1.0 108.395 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -75.69 14.96 0.55 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.729 1.612 . . . . 1.0 112.829 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -140.62 166.37 23.51 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 129.631 3.173 . . . . 1.0 109.455 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -48.82 140.14 23.63 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.282 2.655 . . . . 1.0 112.937 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 23.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 122.59 1.186 . . . . 1.0 113.189 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.18 165.56 36.12 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.081 1.324 . . . . 1.0 113.219 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.54 -36.7 76.64 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.8 -45.23 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.759 0.709 . . . . 1.0 111.734 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.9 83.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.194 0.598 . . . . 1.0 111.462 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.76 -46.24 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 122.973 0.509 . . . . 1.0 111.677 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -60.96 -43.06 99.27 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.121 0.873 . . . . 1.0 111.204 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -64.89 -43.21 93.64 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.724 0.809 . . . . 1.0 111.406 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -43.39 97.63 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.123 -0.986 . . . . 1.0 111.482 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.64 -46.62 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.849 0.86 . . . . 1.0 109.551 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -58.72 -47.55 84.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.569 1.148 . . . . 1.0 112.646 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.5 -13.93 62.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -132.88 36.45 3.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.2 1.4 . . . . 1.0 112.199 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.5 p -55.24 -16.96 3.76 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.444 1.646 . . . . 1.0 115.444 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -81.93 -14.67 55.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.223 1.809 . . . . 1.0 113.783 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.2 pt -135.36 -12.83 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 125.416 1.486 . . . . 1.0 114.902 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -128.46 152.98 47.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.249 1.82 . . . . 1.0 109.623 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -155.88 163.64 39.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.729 1.211 . . . . 1.0 111.391 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.98 -16.28 41.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.448 1.277 . . . . 1.0 114.448 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 p -126.42 -2.91 6.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.09 1.515 . . . . 1.0 115.09 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -163.13 135.78 5.45 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.123 1.329 . . . . 1.0 112.892 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.2 t -102.34 114.86 29.39 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.329 -1.36 . . . . 1.0 107.329 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -20.49 31.3 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.744 1.016 . . . . 1.0 113.744 -176.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.14 -36.08 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 118.967 0.803 . . . . 1.0 110.528 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.3 m -103.97 6.31 36.12 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.554 1.542 . . . . 1.0 112.637 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.3 m 38.13 55.79 1.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.049 2.539 . . . . 1.0 113.41 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.55 139.28 43.81 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.555 1.142 . . . . 1.0 112.685 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.3 t -87.62 146.08 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.534 1.134 . . . . 1.0 109.433 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -122.63 75.64 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.108 2.163 . . . . 1.0 108.653 -174.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.65 -17.58 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 116.688 2.107 . . . . 1.0 116.688 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -154.53 162.08 41.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.385 1.474 . . . . 1.0 110.65 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -57.02 -35.75 69.63 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.798 0.839 . . . . 1.0 112.112 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 p -62.18 -40.71 96.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.025 1.284 . . . . 1.0 112.263 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -67.4 -41.3 85.15 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.676 -0.64 . . . . 1.0 110.242 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -60.04 -47.7 84.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.244 0.618 . . . . 1.0 110.985 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.75 -48.22 81.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.149 0.98 . . . . 1.0 110.829 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.35 99.02 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.808 0.67 . . . . 1.0 112.808 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -66.31 -51.37 58.01 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.701 0.682 . . . . 1.0 112.264 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -66.38 -17.82 65.0 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.206 1.188 . . . . 1.0 114.206 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -97.94 -12.73 21.71 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.391 1.076 . . . . 1.0 113.459 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.0 p -68.65 154.72 41.39 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -68.09 -33.46 74.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.066 . . . . 1.0 111.874 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.34 -45.16 77.2 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.907 1.283 . . . . 1.0 110.991 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -61.72 -48.49 80.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.851 0.86 . . . . 1.0 110.468 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.13 83.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.94 0.496 . . . . 1.0 111.909 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -63.85 -47.24 81.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.554 -0.736 . . . . 1.0 112.003 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -60.19 -45.31 93.58 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.95 0.796 . . . . 1.0 111.746 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.816 -0.612 . . . . 1.0 110.689 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -57.89 -43.12 85.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.383 0.992 . . . . 1.0 112.174 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -67.28 -48.73 66.81 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 118.502 0.592 . . . . 1.0 111.359 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.42 -41.8 90.38 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.879 1.272 . . . . 1.0 112.958 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.96 -32.91 71.25 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.381 1.072 . . . . 1.0 112.34 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.44 72.89 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.616 0.644 . . . . 1.0 112.06 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.1 mm -74.75 -38.97 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.246 1.018 . . . . 1.0 110.665 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -77.8 60.97 2.36 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.25 1.82 . . . . 1.0 112.721 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -137.46 161.68 35.7 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.098 1.759 . . . . 1.0 110.893 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.9 175.17 21.26 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.97 1.272 . . . . 1.0 114.574 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -145.43 -179.98 7.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.027 1.731 . . . . 1.0 112.014 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -143.78 155.74 44.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.701 1.2 . . . . 1.0 111.981 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -73.14 117.22 14.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.46 1.104 . . . . 1.0 111.811 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 m -144.73 152.44 52.47 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.806 1.642 . . . . 1.0 110.978 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.08 -22.6 19.19 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 122.879 2.386 . . . . 1.0 113.534 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.67 162.93 28.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.928 1.291 . . . . 1.0 112.822 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.49 26.79 0.08 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.929 1.692 . . . . 1.0 114.27 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -76.87 55.23 1.07 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.767 2.027 . . . . 1.0 111.883 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -68.51 -17.01 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.871 1.268 . . . . 1.0 113.673 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.45 169.72 7.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.137 1.775 . . . . 1.0 112.623 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 131.78 50.13 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.849 0.459 . . . . 1.0 110.529 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.62 149.82 11.14 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.436 1.094 . . . . 1.0 112.606 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.44 172.5 14.9 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.287 2.658 . . . . 1.0 111.536 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 138.27 54.93 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.797 0.839 . . . . 1.0 112.933 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -92.41 5.18 51.64 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.368 1.467 . . . . 1.0 112.919 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.6 mm -76.18 48.58 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 126.596 1.958 . . . . 1.0 111.787 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -62.26 -23.4 66.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.42 -1.425 . . . . 1.0 113.889 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.7 -5.47 45.78 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.429 1.492 . . . . 1.0 112.961 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.15 -125.93 0.98 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.225 1.869 . . . . 1.0 111.212 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -151.31 150.33 30.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.282 1.033 . . . . 1.0 111.514 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -146.59 158.32 43.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.314 1.846 . . . . 1.0 109.098 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -141.14 -176.13 4.58 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.526 1.53 . . . . 1.0 111.382 -175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 m 59.9 -27.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 130.028 3.331 . . . . 1.0 118.033 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -83.06 -27.22 30.43 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.839 1.199 . . . . 1.0 112.328 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.7 p -150.4 169.45 21.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.333 1.453 . . . . 1.0 113.22 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.7 t -134.61 92.12 20.37 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 127.374 2.269 . . . . 1.0 107.244 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 -29.78 25.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.403 2.735 . . . . 1.0 116.463 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.3 -47.66 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.458 1.481 . . . . 1.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.51 -9.06 58.38 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.294 1.038 . . . . 1.0 112.904 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 62.2 t30 52.28 63.55 2.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.868 3.267 . . . . 1.0 114.362 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -146.49 169.45 18.9 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.509 1.123 . . . . 1.0 113.178 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.8 p -125.76 163.08 23.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.901 1.68 . . . . 1.0 111.409 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.1 145.06 51.86 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.368 0.877 . . . . 1.0 113.368 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 p -77.05 -23.43 52.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.676 1.19 . . . . 1.0 113.814 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.8 m -145.32 149.04 39.89 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 126.242 1.817 . . . . 1.0 110.588 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.84 -27.93 59.18 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.246 2.631 . . . . 1.0 113.675 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.79 -32.89 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.669 0.788 . . . . 1.0 111.507 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.86 -42.04 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.652 0.781 . . . . 1.0 110.274 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.92 78.48 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.392 0.677 . . . . 1.0 110.836 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.95 -43.57 91.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.853 -0.529 . . . . 1.0 111.409 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -59.93 -38.38 82.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.415 1.086 . . . . 1.0 112.055 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -70.06 -43.13 71.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.822 0.849 . . . . 1.0 111.886 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.89 -27.98 63.21 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.704 1.742 . . . . 1.0 115.704 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -74.95 -0.09 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.358 1.435 . . . . 1.0 114.649 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.34 158.31 19.71 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.785 1.184 . . . . 1.0 113.709 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -62.34 -16.6 55.3 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.464 1.283 . . . . 1.0 114.464 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -52.89 -44.02 66.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.756 1.162 . . . . 1.0 112.25 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.39 -47.03 83.71 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.631 -0.668 . . . . 1.0 110.802 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.93 -37.11 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.301 1.44 . . . . 1.0 112.516 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.56 -37.73 84.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.093 -1.004 . . . . 1.0 110.609 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.79 -40.78 75.81 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.476 173.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.72 -46.59 77.71 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 120.091 1.314 . . . . 1.0 110.932 175.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.05 -44.65 91.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.507 1.523 . . . . 1.0 112.422 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.86 -40.5 79.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.456 1.102 . . . . 1.0 112.285 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -78.75 -17.16 56.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.335 1.854 . . . . 1.0 115.059 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 67.67 -38.21 0.35 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.856 2.862 . . . . 1.0 114.049 -175.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 125.462 1.505 . . . . 1.0 111.587 176.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.987 0 N-CA-C 112.975 0.731 . . . . 1.0 112.975 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -147.73 169.5 19.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.937 1.695 . . . . 1.0 111.497 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -140.87 122.18 14.88 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.306 1.442 . . . . 1.0 111.23 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.1 -31.32 71.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.734 1.214 . . . . 1.0 111.811 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.15 0.83 51.67 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.61 1.1 . . . . 1.0 114.337 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -137.33 28.29 2.79 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.472 1.909 . . . . 1.0 111.74 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.63 -163.56 13.1 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.486 1.517 . . . . 1.0 113.079 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -58.86 140.4 55.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.072 0.949 . . . . 1.0 112.357 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.26 177.12 9.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.258 1.423 . . . . 1.0 112.334 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.02 94.71 0.5 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.794 1.638 . . . . 1.0 111.646 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -75.46 48.33 0.43 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.624 1.97 . . . . 1.0 112.929 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.16 137.02 12.49 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.753 2.021 . . . . 1.0 109.948 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -73.38 154.59 50.96 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.419 2.746 . . . . 1.0 111.966 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -140.59 26.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-O 122.439 1.114 . . . . 1.0 113.295 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.01 166.86 37.28 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.334 1.445 . . . . 1.0 112.649 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -55.63 -43.13 75.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.534 0.734 . . . . 1.0 112.707 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.26 -41.9 94.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.398 1.079 . . . . 1.0 112.447 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.41 74.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 1.0 111.208 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.32 -44.77 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.381 0.537 . . . . 1.0 110.438 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -60.24 -44.33 95.32 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.839 0.855 . . . . 1.0 111.125 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.3 m -63.96 -40.99 97.68 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.459 0.704 . . . . 1.0 112.498 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.56 -43.65 98.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.582 1.153 . . . . 1.0 111.009 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.38 -46.48 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.208 1.003 . . . . 1.0 110.417 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -56.85 -46.99 81.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.103 1.361 . . . . 1.0 112.6 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -83.6 -7.24 59.55 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.467 1.284 . . . . 1.0 114.467 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -134.33 36.28 3.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.215 1.406 . . . . 1.0 111.779 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.0 p -54.63 -18.31 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.655 1.724 . . . . 1.0 115.655 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -76.98 -20.26 56.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.634 1.573 . . . . 1.0 113.504 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.08 -17.48 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.392 1.477 . . . . 1.0 114.955 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.84 149.83 48.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.672 1.589 . . . . 1.0 109.614 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -153.06 169.34 23.18 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.237 1.015 . . . . 1.0 111.966 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.73 -19.22 48.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.81 1.244 . . . . 1.0 113.951 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -133.5 4.28 3.65 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.885 1.809 . . . . 1.0 115.885 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -163.34 144.41 9.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.65 1.568 . . . . 1.0 113.233 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.9 t -115.83 114.66 25.04 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.197 1.399 . . . . 1.0 108.398 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -76.69 -33.21 58.24 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.056 0.761 . . . . 1.0 113.056 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.61 -33.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.336 0.655 . . . . 1.0 111.525 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.6 9.64 25.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 1.0 112.342 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m 34.72 56.98 0.73 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.672 2.789 . . . . 1.0 113.623 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.78 141.02 42.94 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.288 1.035 . . . . 1.0 113.235 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -87.83 147.43 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.828 1.251 . . . . 1.0 109.364 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.79 70.01 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.145 2.178 . . . . 1.0 109.248 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -52.2 -19.74 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 117.06 2.245 . . . . 1.0 117.06 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 m -145.95 157.94 43.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.071 1.348 . . . . 1.0 111.074 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.93 -36.4 70.19 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.0 p -60.18 -37.3 79.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.572 1.078 . . . . 1.0 112.508 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -69.97 -45.01 68.29 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.333 0.653 . . . . 1.0 109.854 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -60.13 -47.65 85.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.457 0.703 . . . . 1.0 111.038 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.57 -43.57 98.48 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.208 1.003 . . . . 1.0 111.564 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -40.96 77.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.329 0.968 . . . . 1.0 112.522 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -66.55 -51.31 57.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.521 0.601 . . . . 1.0 111.831 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -66.97 -31.85 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.07 -8.67 59.51 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.237 0.926 . . . . 1.0 113.346 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.5 t -67.94 136.76 54.47 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.199 -0.938 . . . . 1.0 112.707 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -63.08 -30.45 71.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.468 0.707 . . . . 1.0 111.452 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.89 -45.15 87.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.827 0.851 . . . . 1.0 110.428 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -60.91 -49.39 77.67 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.551 0.741 . . . . 1.0 110.404 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.34 84.5 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -64.0 -46.07 86.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.559 -0.713 . . . . 1.0 111.656 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -61.01 -43.78 98.38 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.168 0.987 . . . . 1.0 110.86 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.46 -43.12 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.166 0.986 . . . . 1.0 110.98 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.4 ttp-105 -59.25 -43.59 92.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.265 0.939 . . . . 1.0 111.188 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -63.86 -48.91 74.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.672 . . . . 1.0 111.199 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.09 -44.3 78.89 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.983 0.913 . . . . 1.0 112.114 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.9 mmt -69.51 -38.12 77.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.984 0.914 . . . . 1.0 112.506 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -37.32 87.04 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.612 0.765 . . . . 1.0 112.398 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.27 -26.26 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.383 1.473 . . . . 1.0 112.92 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.34 -6.14 27.85 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.141 1.163 . . . . 1.0 114.141 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -136.66 178.32 7.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.484 1.914 . . . . 1.0 111.044 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.38 169.26 54.8 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.371 -0.831 . . . . 1.0 111.766 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -137.37 171.74 14.02 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.904 1.282 . . . . 1.0 111.777 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -145.01 175.49 10.19 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.113 1.365 . . . . 1.0 112.567 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.3 p -137.91 -179.58 5.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.69 1.996 . . . . 1.0 112.936 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 m -74.01 158.64 85.52 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 124.791 1.237 . . . . 1.0 113.512 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.42 -34.33 60.78 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 123.848 3.032 . . . . 1.0 114.446 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.47 -9.55 13.3 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.13 1.372 . . . . 1.0 114.481 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -118.59 10.12 12.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.617 1.967 . . . . 1.0 112.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.49 147.7 25.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.491 1.516 . . . . 1.0 111.441 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -145.15 177.81 8.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.143 1.377 . . . . 1.0 111.807 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -152.31 155.25 37.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.434 1.494 . . . . 1.0 112.58 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.05 160.05 43.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.368 1.467 . . . . 1.0 111.51 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.88 60.36 Favored Pre-proline 0 CA--C 1.555 1.138 0 N-CA-C 116.188 1.921 . . . . 1.0 116.188 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.84 156.63 39.35 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.316 2.011 . . . . 1.0 113.258 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.84 8.0 34.24 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.129 1.372 . . . . 1.0 113.751 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -73.47 45.6 0.18 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.207 2.203 . . . . 1.0 113.705 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 86.7 mt -51.92 115.63 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.722 2.009 . . . . 1.0 111.089 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.5 m -139.64 19.26 2.52 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.028 1.731 . . . . 1.0 112.361 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -151.98 178.32 9.55 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.667 1.987 . . . . 1.0 110.57 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.4 7.97 0.03 OUTLIER Glycine 0 CA--C 1.544 1.858 0 C-N-CA 127.112 2.292 . . . . 1.0 117.512 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -74.63 -11.51 60.21 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.567 -1.549 . . . . 1.0 111.913 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.18 -4.96 1.29 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.983 2.113 . . . . 1.0 116.59 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.7 -45.2 38.88 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.593 1.557 . . . . 1.0 112.522 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m -65.09 21.5 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.644 2.378 . . . . 1.0 116.159 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -125.91 -10.78 6.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.608 1.963 . . . . 1.0 112.53 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.5 p -135.89 164.42 27.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.026 1.33 . . . . 1.0 113.583 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.8 t -148.02 89.37 5.28 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.734 1.614 . . . . 1.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.86 -30.09 22.34 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.889 2.393 . . . . 1.0 114.879 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.4 t -64.53 -46.88 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.189 0.904 . . . . 1.0 110.405 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -83.94 -8.93 59.05 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.598 1.159 . . . . 1.0 112.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.89 59.57 3.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.982 3.313 . . . . 1.0 114.117 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -150.26 179.38 8.16 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.136 1.374 . . . . 1.0 113.361 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.7 p -132.03 167.51 19.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.012 1.725 . . . . 1.0 112.917 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -131.22 147.03 52.55 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.268 1.427 . . . . 1.0 112.019 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.0 p -77.63 -26.49 50.58 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.114 0.966 . . . . 1.0 113.328 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -139.02 145.57 45.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.598 1.559 . . . . 1.0 112.19 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.13 -25.1 65.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.993 2.462 . . . . 1.0 113.137 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.6 t -63.92 -38.93 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.244 0.929 . . . . 1.0 110.448 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 t -65.65 -43.74 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.913 0.885 . . . . 1.0 109.951 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.45 65.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.703 0.801 . . . . 1.0 111.828 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.79 -42.85 90.01 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.753 0.821 . . . . 1.0 111.827 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.8 t -63.9 -40.36 96.32 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.844 . . . . 1.0 111.844 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -66.97 -48.25 69.09 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 1.0 112.935 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -54.93 -31.09 60.03 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.681 1.363 . . . . 1.0 114.681 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.32 -2.08 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 113.942 1.09 . . . . 1.0 113.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.44 153.75 21.87 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.342 0.972 . . . . 1.0 113.298 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.7 -25.7 67.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.128 1.158 . . . . 1.0 114.128 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.3 m -59.12 -40.07 84.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.22 0.918 . . . . 1.0 111.138 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -69.35 -46.62 66.56 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.377 0.671 . . . . 1.0 110.614 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.969 1.308 . . . . 1.0 112.242 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.18 -40.42 85.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.421 -0.8 . . . . 1.0 110.702 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -71.4 -36.21 71.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.647 0.779 . . . . 1.0 111.606 175.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.92 -49.22 77.5 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.616 1.098 . . . . 1.0 109.751 173.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -61.61 -43.89 98.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.295 1.838 . . . . 1.0 112.193 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.23 -38.04 79.0 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.782 1.233 . . . . 1.0 112.657 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -94.68 -7.48 40.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.89 30.75 20.27 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.041 2.136 . . . . 1.0 112.875 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 125.496 1.518 . . . . 1.0 111.472 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.073 0 N-CA-C 115.315 1.598 . . . . 1.0 115.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -134.62 28.82 3.59 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.23 1.812 . . . . 1.0 111.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -136.97 167.41 21.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.58 1.552 . . . . 1.0 113.194 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -146.42 -13.95 0.45 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.596 1.958 . . . . 1.0 113.169 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.16 3.47 89.64 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 120.943 -1.098 . . . . 1.0 115.13 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -152.3 148.5 27.6 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.188 1.795 . . . . 1.0 110.617 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.87 -33.96 2.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.476 1.036 . . . . 1.0 113.786 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -155.38 155.35 33.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.69 1.196 . . . . 1.0 112.841 178.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.91 31.86 0.62 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.419 1.488 . . . . 1.0 112.568 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.7 101.83 0.39 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.593 1.557 . . . . 1.0 110.527 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -130.36 28.59 4.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.381 1.872 . . . . 1.0 112.718 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.75 165.31 42.89 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 127.636 2.374 . . . . 1.0 113.687 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -58.75 158.54 23.84 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.581 2.854 . . . . 1.0 113.659 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 t -129.52 31.68 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.312 1.045 . . . . 1.0 112.561 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.65 157.62 19.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.065 -1.022 . . . . 1.0 113.384 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.85 -37.93 71.99 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.92 -44.69 91.37 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.886 0.766 . . . . 1.0 111.885 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.36 74.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.053 -0.498 . . . . 1.0 111.52 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.43 -42.97 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.351 0.978 . . . . 1.0 110.652 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -59.68 -46.18 89.82 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.205 1.002 . . . . 1.0 110.799 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.0 t -62.16 -44.2 97.14 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.898 -0.502 . . . . 1.0 111.343 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.85 -41.57 91.74 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.807 1.243 . . . . 1.0 112.158 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.13 -50.12 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.134 0.974 . . . . 1.0 109.877 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -61.26 -42.73 99.13 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.305 1.042 . . . . 1.0 113.091 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -68.98 -15.22 63.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.295 1.038 . . . . 1.0 113.359 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -131.43 35.61 3.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.694 1.598 . . . . 1.0 112.083 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -53.62 -19.82 4.41 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.553 1.686 . . . . 1.0 115.553 -177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -74.82 -19.82 60.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.746 1.619 . . . . 1.0 113.598 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -131.97 -20.88 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.27 1.582 . . . . 1.0 115.27 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -121.75 150.25 42.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.253 1.421 . . . . 1.0 109.827 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -154.87 168.61 26.34 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.799 1.24 . . . . 1.0 111.276 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.74 -15.41 53.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.991 1.108 . . . . 1.0 113.991 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 p -131.8 0.87 3.95 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.743 1.757 . . . . 1.0 115.743 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -163.81 145.4 9.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.454 1.479 . . . . 1.0 113.398 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -117.24 115.8 26.0 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.221 1.408 . . . . 1.0 108.966 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -73.92 -37.22 64.69 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.687 0.995 . . . . 1.0 113.687 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.6 -39.45 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.62 0.768 . . . . 1.0 111.126 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -101.54 8.11 42.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.437 1.495 . . . . 1.0 112.407 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 32.59 54.93 0.38 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.092 2.957 . . . . 1.0 114.034 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.13 145.86 44.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.738 1.215 . . . . 1.0 113.079 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.9 149.7 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.118 1.367 . . . . 1.0 109.742 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 mt -125.46 73.79 1.34 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.343 2.257 . . . . 1.0 109.147 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.81 -12.62 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 117.048 2.24 . . . . 1.0 117.048 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -152.23 156.25 39.35 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.068 1.347 . . . . 1.0 110.951 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -56.94 -39.17 74.04 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.804 0.842 . . . . 1.0 112.184 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -61.84 -35.78 79.27 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.238 0.926 . . . . 1.0 112.02 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.76 -43.83 74.97 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.853 -0.529 . . . . 1.0 109.799 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -58.6 -47.68 83.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.414 0.686 . . . . 1.0 111.007 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.0 -52.15 66.21 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.029 0.932 . . . . 1.0 110.777 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.63 86.96 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -67.85 -51.12 51.99 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.951 0.796 . . . . 1.0 112.11 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -66.13 -17.34 64.65 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.499 0.925 . . . . 1.0 113.499 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -102.61 -2.87 27.57 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.315 1.446 . . . . 1.0 112.905 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -71.55 133.56 45.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.635 1.174 . . . . 1.0 112.846 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -55.02 -31.36 61.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.379 1.472 . . . . 1.0 112.803 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -39.25 82.56 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.643 1.177 . . . . 1.0 112.097 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -61.27 -43.14 99.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.101 0.96 . . . . 1.0 111.001 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.98 81.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.755 0.707 . . . . 1.0 111.994 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -62.78 -47.1 84.95 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.107 0.563 . . . . 1.0 111.752 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -65.52 -40.83 93.4 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.734 0.642 . . . . 1.0 112.734 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 118.589 0.631 . . . . 1.0 110.437 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.82 -42.18 98.7 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.301 0.955 . . . . 1.0 111.962 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -61.41 -42.39 98.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.907 0.883 . . . . 1.0 111.45 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -70.28 -40.26 74.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.34 1.056 . . . . 1.0 112.329 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.6 mmt -62.59 -23.48 67.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.972 -1.08 . . . . 1.0 112.345 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.15 -9.75 59.05 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.878 0.871 . . . . 1.0 112.36 173.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mm -108.13 -47.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.898 2.079 . . . . 1.0 109.713 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -71.42 161.13 31.54 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.363 1.865 . . . . 1.0 113.265 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -83.33 62.37 6.67 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.344 1.458 . . . . 1.0 110.461 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.9 -172.27 19.82 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.819 1.2 . . . . 1.0 114.607 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -138.88 169.24 18.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.052 1.741 . . . . 1.0 112.139 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -59.78 151.57 25.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 1.0 114.447 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 m -61.17 111.72 1.83 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.199 1.799 . . . . 1.0 113.096 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.77 128.21 85.76 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.664 0.786 . . . . 1.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -83.18 -2.21 10.61 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.506 3.471 . . . . 1.0 115.703 -176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.04 -21.29 1.74 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.445 1.646 . . . . 1.0 115.445 -178.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -49.39 -33.58 14.09 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.476 2.31 . . . . 1.0 113.002 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -54.47 -28.13 42.45 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.317 1.847 . . . . 1.0 114.068 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.05 -24.79 66.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 1.0 113.803 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -91.1 45.66 1.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.869 1.667 . . . . 1.0 113.591 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.04 138.19 29.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.787 1.235 . . . . 1.0 112.136 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.73 159.14 27.76 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.18 1.792 . . . . 1.0 111.423 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.0 141.13 68.78 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.936 3.091 . . . . 1.0 113.561 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.21 29.2 0.57 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.105 1.15 . . . . 1.0 114.105 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.6 137.88 30.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.758 -1.214 . . . . 1.0 113.27 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -54.36 -36.98 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 126.432 1.893 . . . . 1.0 112.325 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.1 m -57.67 -14.67 5.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.237 1.815 . . . . 1.0 115.179 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.44 -35.52 65.54 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.876 1.217 . . . . 1.0 113.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.38 -45.78 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.502 1.049 . . . . 1.0 115.197 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.46 -21.66 65.62 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.11 1.893 . . . . 1.0 116.11 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -116.47 0.72 12.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.9 1.444 . . . . 1.0 114.9 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.9 -27.55 60.87 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.057 0.943 . . . . 1.0 112.375 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p -74.11 -8.14 55.1 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.304 1.841 . . . . 1.0 114.353 177.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -123.2 -32.31 3.46 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.649 1.179 . . . . 1.0 113.498 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.2 m -139.0 158.45 44.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.911 0.884 . . . . 1.0 112.656 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.2 t -133.93 99.29 13.88 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.94 1.696 . . . . 1.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -70.87 -20.34 29.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.909 2.406 . . . . 1.0 113.294 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.28 -37.17 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.03 1.332 . . . . 1.0 111.163 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.5 m -111.01 -11.33 14.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.961 1.704 . . . . 1.0 113.722 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.9 t30 58.82 57.2 3.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.102 2.561 . . . . 1.0 111.963 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.9 mtm -135.61 170.61 15.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.676 1.59 . . . . 1.0 112.602 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.2 p -131.07 161.08 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.8 1.64 . . . . 1.0 111.769 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.23 147.06 52.55 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.714 1.605 . . . . 1.0 112.259 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 p -76.05 -21.25 56.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 157.32 23.13 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 125.623 1.569 . . . . 1.0 111.949 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.06 -36.62 66.18 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.975 3.117 . . . . 1.0 114.938 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.42 -37.2 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.601 0.76 . . . . 1.0 111.27 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 -39.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.908 0.883 . . . . 1.0 110.107 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.11 74.65 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.22 0.608 . . . . 1.0 110.752 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -43.03 91.74 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.665 0.786 . . . . 1.0 111.585 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.0 m -61.76 -38.08 86.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.889 0.876 . . . . 1.0 111.979 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.29 -48.27 68.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.557 0.743 . . . . 1.0 111.343 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.56 -31.22 67.79 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.365 1.246 . . . . 1.0 114.365 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -89.58 -3.13 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 113.358 0.873 . . . . 1.0 113.358 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.31 160.64 22.14 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.924 1.25 . . . . 1.0 114.066 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -59.54 -30.51 68.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -55.28 -44.09 75.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.287 1.035 . . . . 1.0 111.987 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -68.86 -45.31 71.39 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.826 -0.546 . . . . 1.0 111.227 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.82 -43.88 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.019 1.328 . . . . 1.0 112.205 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -59.96 -40.97 90.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.685 0.794 . . . . 1.0 111.355 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -64.36 -29.73 70.8 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.141 -0.933 . . . . 1.0 112.802 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.66 -44.08 85.44 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.131 1.332 . . . . 1.0 110.46 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.84 -45.12 71.94 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 123.644 0.777 . . . . 1.0 111.505 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.11 -39.06 77.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.793 0.724 . . . . 1.0 111.998 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -65.22 -33.57 76.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.813 1.245 . . . . 1.0 113.474 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -91.96 -22.71 19.86 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.947 1.299 . . . . 1.0 114.016 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 126.314 1.845 . . . . 1.0 110.953 -177.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 113.925 1.083 . . . . 1.0 113.925 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.55 12.86 2.75 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.836 1.254 . . . . 1.0 113.447 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.83 -7.93 51.27 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.764 1.394 . . . . 1.0 114.764 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.74 163.07 28.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.244 1.418 . . . . 1.0 112.714 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.6 172.62 43.69 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.469 1.033 . . . . 1.0 113.633 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -142.17 177.96 7.88 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.883 1.673 . . . . 1.0 111.553 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.31 173.61 43.69 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 126.287 1.899 . . . . 1.0 111.963 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.74 143.79 27.81 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 1.0 112.276 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.54 109.08 1.53 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.206 1.403 . . . . 1.0 112.93 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 tp -159.93 175.09 13.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.972 2.509 . . . . 1.0 107.68 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.12 -13.0 61.88 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.639 1.176 . . . . 1.0 113.893 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.4 164.66 48.69 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.974 2.51 . . . . 1.0 110.998 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.39 145.14 29.08 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.079 2.519 . . . . 1.0 112.314 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.17 21.71 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.509 1.124 . . . . 1.0 113.645 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.4 170.81 36.65 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.291 0.948 . . . . 1.0 113.741 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -55.8 -38.34 69.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.544 1.138 . . . . 1.0 113.273 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -61.63 -44.91 96.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.585 0.754 . . . . 1.0 112.325 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.07 76.64 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.114 0.565 . . . . 1.0 111.302 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.52 -44.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.004 0.522 . . . . 1.0 110.872 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.24 -47.82 84.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.626 -0.671 . . . . 1.0 110.809 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.67 0.668 . . . . 1.0 111.79 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.94 -40.69 85.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.418 1.087 . . . . 1.0 111.493 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.84 -48.39 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.033 0.933 . . . . 1.0 110.258 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -62.2 -40.79 97.24 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.477 1.035 . . . . 1.0 113.199 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.8 -15.09 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -134.35 36.99 3.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.146 1.378 . . . . 1.0 112.523 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.3 p -52.97 -20.18 3.21 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.737 1.754 . . . . 1.0 115.737 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -75.86 -20.51 58.04 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.73 1.612 . . . . 1.0 113.841 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.14 -19.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.021 1.489 . . . . 1.0 115.021 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -124.56 142.17 51.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.269 1.427 . . . . 1.0 109.301 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 p -145.82 172.74 12.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.472 1.109 . . . . 1.0 111.31 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.18 -11.77 44.07 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.469 0.914 . . . . 1.0 113.469 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.81 -1.15 3.07 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.656 1.724 . . . . 1.0 115.656 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -161.13 146.49 14.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.735 1.607 . . . . 1.0 113.493 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -117.35 114.44 23.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.876 1.271 . . . . 1.0 108.189 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -76.89 -31.57 56.84 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.71 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.227 0.611 . . . . 1.0 110.756 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.2 m -98.7 6.43 46.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.554 1.541 . . . . 1.0 112.724 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m 36.98 55.07 1.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 128.24 2.616 . . . . 1.0 113.276 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.98 143.02 42.59 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.403 1.081 . . . . 1.0 113.408 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.92 148.51 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.049 1.34 . . . . 1.0 109.511 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -126.68 71.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.487 2.315 . . . . 1.0 108.741 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -50.75 -21.6 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 116.907 2.188 . . . . 1.0 116.907 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -144.62 157.43 44.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.372 1.469 . . . . 1.0 110.948 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.85 -35.5 68.93 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.268 0.627 . . . . 1.0 112.388 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.37 -38.46 77.32 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.302 -0.874 . . . . 1.0 112.481 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -69.64 -42.7 73.94 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.719 0.807 . . . . 1.0 110.087 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.71 -47.48 85.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 1.0 110.963 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.02 -41.07 95.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.292 1.037 . . . . 1.0 111.819 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.6 -47.1 61.87 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.961 0.801 . . . . 1.0 112.786 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -61.55 -51.1 70.0 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.997 0.919 . . . . 1.0 112.762 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -68.13 -21.57 64.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -89.66 -15.84 31.76 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.038 0.835 . . . . 1.0 112.727 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 140.4 58.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 1.0 113.803 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.4 -32.6 74.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.833 0.853 . . . . 1.0 111.613 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.35 -42.22 96.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.985 0.914 . . . . 1.0 111.448 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -60.05 -48.93 79.66 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.142 0.577 . . . . 1.0 110.498 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.44 89.26 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.226 0.466 . . . . 1.0 112.167 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.21 -45.41 94.68 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.68 -0.637 . . . . 1.0 111.091 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.68 -43.3 99.12 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.211 1.004 . . . . 1.0 111.348 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.39 -44.29 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.995 0.918 . . . . 1.0 110.691 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -59.81 -43.07 94.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.636 1.107 . . . . 1.0 111.881 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -63.17 -46.21 88.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.05 0.94 . . . . 1.0 111.348 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.5 -43.45 97.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.645 1.178 . . . . 1.0 112.522 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.6 mmt -60.24 -34.58 73.89 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.052 0.941 . . . . 1.0 112.416 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -19.33 65.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.81 1.041 . . . . 1.0 113.81 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.68 -30.38 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.682 1.193 . . . . 1.0 110.762 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -72.09 94.5 1.52 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.252 1.421 . . . . 1.0 110.788 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -54.87 134.87 48.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.06 1.344 . . . . 1.0 112.889 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.63 -169.44 38.64 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.635 1.112 . . . . 1.0 112.807 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.99 40.24 0.15 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.4 1.88 . . . . 1.0 113.277 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -56.72 -16.41 6.35 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.043 1.868 . . . . 1.0 116.043 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 m -64.17 -13.64 49.85 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.326 1.45 . . . . 1.0 114.174 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.17 155.92 72.34 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 126.323 1.849 . . . . 1.0 111.375 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.9 64.14 5.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 124.464 3.443 . . . . 1.0 112.398 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.96 173.35 11.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.086 1.754 . . . . 1.0 112.4 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -68.47 168.91 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.268 1.427 . . . . 1.0 112.544 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -50.12 -35.79 27.2 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.294 1.838 . . . . 1.0 113.792 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -136.33 158.28 44.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.094 1.758 . . . . 1.0 111.218 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.05 66.68 0.84 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.517 1.527 . . . . 1.0 110.324 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.6 -12.29 51.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.976 1.31 . . . . 1.0 114.236 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -145.05 156.74 54.82 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.271 2.229 . . . . 1.0 109.88 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.18 101.94 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.532 2.821 . . . . 1.0 112.05 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.17 17.02 2.26 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.659 1.584 . . . . 1.0 113.315 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.12 155.33 37.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.718 1.207 . . . . 1.0 112.895 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.41 38.99 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 125.817 1.647 . . . . 1.0 109.809 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.8 p -119.17 -4.67 10.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.334 1.854 . . . . 1.0 114.599 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -136.38 14.33 3.23 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.181 1.793 . . . . 1.0 111.841 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.77 -178.65 45.57 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 127.55 2.5 . . . . 1.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.76 146.98 32.42 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.131 0.972 . . . . 1.0 111.258 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.43 -51.57 69.33 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.333 -0.854 . . . . 1.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 -65.42 -12.31 51.1 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.612 1.708 . . . . 1.0 115.612 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.1 p -96.82 -1.5 46.01 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.211 0.914 . . . . 1.0 113.201 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -134.74 -17.83 1.92 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.543 1.537 . . . . 1.0 114.192 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -142.43 159.05 42.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.502 1.521 . . . . 1.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -136.15 89.76 19.45 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.713 2.005 . . . . 1.0 108.684 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.13 -23.45 60.38 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.667 2.245 . . . . 1.0 113.339 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.05 -35.87 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.29 1.036 . . . . 1.0 110.96 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.8 m -109.3 -4.68 16.26 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.778 1.631 . . . . 1.0 113.975 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.06 59.39 4.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.769 2.828 . . . . 1.0 112.794 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.7 ptm -149.17 171.56 16.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.456 1.502 . . . . 1.0 112.948 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -128.45 168.79 15.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.111 1.764 . . . . 1.0 112.777 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -130.9 147.0 52.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.612 1.165 . . . . 1.0 113.328 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 p -69.07 -37.93 78.76 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 1.0 113.305 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 m -141.23 155.07 68.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 125.751 1.62 . . . . 1.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.46 -28.84 78.26 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.361 2.707 . . . . 1.0 114.178 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.97 -37.23 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 1.0 110.805 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.52 -42.91 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.846 0.858 . . . . 1.0 109.988 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.44 73.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.847 0.859 . . . . 1.0 112.913 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -39.24 93.52 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.42 -0.8 . . . . 1.0 112.109 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.6 m -64.19 -38.67 91.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.856 0.862 . . . . 1.0 112.139 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -61.92 -49.67 75.24 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.608 -0.683 . . . . 1.0 111.641 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -56.21 -14.7 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.27 6.17 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.099 1.36 . . . . 1.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.72 159.48 19.06 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.211 1.386 . . . . 1.0 113.766 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.02 -36.11 67.61 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.226 1.195 . . . . 1.0 114.226 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -56.13 -41.7 75.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.981 0.913 . . . . 1.0 111.807 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.19 -44.29 68.99 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.449 0.7 . . . . 1.0 110.968 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.22 -38.55 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.271 1.029 . . . . 1.0 111.982 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -59.05 -36.2 74.64 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.27 -0.894 . . . . 1.0 110.995 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -74.92 -34.78 62.18 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.219 -0.896 . . . . 1.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.3 -46.64 85.74 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.502 1.501 . . . . 1.0 109.909 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.858 1.263 . . . . 1.0 112.52 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 tp -73.89 -45.57 49.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.251 1.02 . . . . 1.0 110.949 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -60.54 -37.35 80.91 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.373 1.469 . . . . 1.0 111.976 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.05 -13.16 62.28 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.358 1.463 . . . . 1.0 112.727 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.239 0.548 0 C-N-CA 126.373 1.869 . . . . 1.0 110.631 -178.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.75 163.77 37.78 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.134 1.373 . . . . 1.0 112.689 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.99 167.71 27.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.821 1.648 . . . . 1.0 111.95 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -74.76 149.98 39.55 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 1.0 112.058 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.09 45.1 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.692 1.139 . . . . 1.0 113.44 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -151.92 170.35 20.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.626 1.57 . . . . 1.0 111.997 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.64 164.52 38.0 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.446 1.022 . . . . 1.0 113.314 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.76 174.77 14.52 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.936 1.694 . . . . 1.0 110.855 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 159.37 9.17 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.779 1.231 . . . . 1.0 112.094 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD1' ' H ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -146.28 179.61 7.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.208 1.403 . . . . 1.0 111.098 -177.245 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.511 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 24.9 t0 -137.99 48.77 1.97 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.867 3.267 . . . . 1.0 107.207 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.27 33.0 tp -58.12 -74.55 0.14 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 127.494 2.318 . . . . 1.0 111.373 -172.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.01 136.22 34.38 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 N-CA-C 106.201 -2.269 . . . . 1.0 106.201 167.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.52 125.27 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 1.0 112.799 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.4 175.89 27.38 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.773 1.177 . . . . 1.0 114.49 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.53 -38.59 87.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.489 0.716 . . . . 1.0 112.652 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -58.18 -46.18 86.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.722 1.209 . . . . 1.0 113.249 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.79 85.28 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.84 -0.538 . . . . 1.0 111.562 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.2 -43.49 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.098 0.559 . . . . 1.0 110.688 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.87 -44.17 94.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.783 0.833 . . . . 1.0 111.085 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.32 -44.08 92.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.338 0.655 . . . . 1.0 111.231 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.19 -42.54 91.1 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.331 1.452 . . . . 1.0 111.47 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.8 -49.67 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.798 0.839 . . . . 1.0 109.725 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.76 -46.62 84.27 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.336 1.454 . . . . 1.0 113.364 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.74 -15.47 63.15 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.455 1.102 . . . . 1.0 113.664 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -130.99 36.04 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.404 1.482 . . . . 1.0 112.385 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -54.12 -19.1 4.44 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.633 1.716 . . . . 1.0 115.633 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -75.38 -19.22 59.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.672 1.589 . . . . 1.0 113.648 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.7 pt -130.77 -19.33 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.0 1.481 . . . . 1.0 115.0 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -123.94 150.2 45.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.044 1.338 . . . . 1.0 109.965 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -149.01 173.51 13.28 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.034 0.933 . . . . 1.0 111.959 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -17.4 56.65 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.978 1.311 . . . . 1.0 113.503 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -135.87 0.32 2.65 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.804 1.779 . . . . 1.0 115.804 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -159.22 146.49 17.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.909 1.686 . . . . 1.0 113.539 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -117.75 115.45 25.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.986 1.314 . . . . 1.0 109.807 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.52 -37.9 65.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.285 0.846 . . . . 1.0 113.285 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.95 -40.85 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.462 1.105 . . . . 1.0 111.722 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.41 7.25 44.36 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.946 1.298 . . . . 1.0 112.022 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 p 34.1 52.49 0.48 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.327 3.051 . . . . 1.0 114.19 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.23 149.57 47.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.82 1.248 . . . . 1.0 113.516 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.89 148.05 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.222 1.409 . . . . 1.0 109.677 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.8 mt -122.55 75.04 1.22 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.631 2.372 . . . . 1.0 107.879 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 pt -51.66 -19.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 117.192 2.293 . . . . 1.0 117.192 -173.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 t -154.16 164.12 39.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.817 1.247 . . . . 1.0 111.04 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.5 -38.06 74.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.798 0.839 . . . . 1.0 112.766 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 p -61.58 -39.54 91.54 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.807 1.185 . . . . 1.0 112.335 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -67.92 -43.81 78.32 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.858 -0.526 . . . . 1.0 110.316 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -59.3 -47.76 84.16 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.594 0.634 . . . . 1.0 111.324 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.32 -54.07 50.09 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.375 1.07 . . . . 1.0 110.492 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.39 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.402 0.89 . . . . 1.0 113.402 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -66.25 -51.36 58.31 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.801 -0.562 . . . . 1.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.22 -26.52 63.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -69.09 -27.94 66.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.897 1.073 . . . . 1.0 113.897 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -75.51 147.46 39.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -27.52 68.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.816 1.646 . . . . 1.0 111.817 174.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.66 -43.19 94.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.083 1.353 . . . . 1.0 111.222 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -60.21 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.17 0.588 . . . . 1.0 110.29 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.94 73.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.608 0.596 . . . . 1.0 112.608 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.64 -42.51 82.15 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.202 -0.936 . . . . 1.0 111.152 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.55 -36.67 84.49 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.5 -0.75 . . . . 1.0 110.952 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.21 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.227 0.921 . . . . 1.0 109.988 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -57.99 -43.51 86.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.888 . . . . 1.0 111.641 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.85 -45.48 82.03 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.169 0.988 . . . . 1.0 111.706 176.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.25 -42.5 99.2 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.739 1.216 . . . . 1.0 111.932 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.1 mmt -61.63 -35.02 76.7 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.226 -0.921 . . . . 1.0 112.009 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.31 -13.02 61.61 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.07 -28.91 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.118 0.967 . . . . 1.0 110.454 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -61.63 151.43 33.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.618 0.767 . . . . 1.0 112.357 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -60.81 149.21 36.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.06 -176.58 43.76 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.806 1.193 . . . . 1.0 113.185 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.73 166.39 30.55 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.486 1.514 . . . . 1.0 112.211 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.84 141.18 58.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.197 0.999 . . . . 1.0 111.97 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -152.8 -179.91 8.06 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.433 1.093 . . . . 1.0 112.711 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.79 142.31 27.82 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.993 1.717 . . . . 1.0 111.143 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.75 -8.95 24.91 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.148 2.565 . . . . 1.0 114.371 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -20.11 9.4 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.291 1.437 . . . . 1.0 114.38 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -58.22 -19.93 37.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 1.0 113.598 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -119.06 29.85 7.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.927 2.091 . . . . 1.0 111.633 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -139.57 178.09 7.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.072 1.749 . . . . 1.0 111.539 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.0 58.39 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.656 2.382 . . . . 1.0 112.783 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.2 163.47 32.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.961 1.704 . . . . 1.0 112.289 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.47 149.61 97.91 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.339 1.056 . . . . 1.0 113.13 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.17 165.88 31.49 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.674 2.916 . . . . 1.0 112.411 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.83 140.25 58.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.848 0.859 . . . . 1.0 112.319 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -156.85 156.48 33.26 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.582 1.553 . . . . 1.0 110.627 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.5 142.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.256 1.022 . . . . 1.0 110.772 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.5 p -138.89 175.95 9.11 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.493 1.917 . . . . 1.0 110.872 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 122.66 13.19 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.397 -0.814 . . . . 1.0 112.559 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.65 -174.19 46.7 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.586 1.089 . . . . 1.0 113.024 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.96 -27.08 2.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.561 1.689 . . . . 1.0 115.561 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.96 -19.17 28.48 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.691 1.196 . . . . 1.0 113.616 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -133.91 17.89 3.83 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.582 1.553 . . . . 1.0 114.67 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p -145.59 23.93 1.41 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.029 1.862 . . . . 1.0 116.029 -175.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.23 -15.63 4.12 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.549 1.685 . . . . 1.0 115.549 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.9 t -145.15 157.04 44.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.965 1.306 . . . . 1.0 111.769 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -140.58 88.02 11.21 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.267 1.427 . . . . 1.0 110.908 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.63 -27.19 82.12 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.59 2.86 . . . . 1.0 113.973 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.41 -28.14 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.886 1.674 . . . . 1.0 112.075 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.25 -8.68 9.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.976 1.711 . . . . 1.0 113.485 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.11 57.94 3.78 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 128.911 2.884 . . . . 1.0 111.602 -176.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.5 mtm -137.01 169.13 18.3 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.306 1.442 . . . . 1.0 112.946 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 39.6 p -132.02 161.07 34.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.478 1.911 . . . . 1.0 110.824 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -131.12 142.49 50.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.973 0.909 . . . . 1.0 112.635 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -80.08 -10.77 59.79 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.259 1.424 . . . . 1.0 114.37 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 t -151.09 145.57 18.23 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 125.563 1.545 . . . . 1.0 111.111 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -64.69 -26.21 61.06 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.776 2.317 . . . . 1.0 112.501 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -66.23 -39.52 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.445 0.698 . . . . 1.0 110.449 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.67 -43.91 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.809 0.843 . . . . 1.0 109.914 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.01 74.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.409 0.684 . . . . 1.0 111.715 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.63 -42.26 87.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.829 0.851 . . . . 1.0 111.752 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 t -64.92 -43.31 93.21 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.554 0.742 . . . . 1.0 111.286 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -61.96 -48.85 78.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.996 0.919 . . . . 1.0 112.864 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -56.92 -17.38 9.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.009 1.485 . . . . 1.0 115.009 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -113.71 3.69 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.056 1.343 . . . . 1.0 113.469 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.03 158.04 24.61 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.585 1.088 . . . . 1.0 113.496 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.55 -30.54 68.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.63 0.974 . . . . 1.0 113.63 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.9 m -59.36 -42.54 91.84 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.248 1.019 . . . . 1.0 111.53 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -65.47 -44.09 88.23 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.529 0.731 . . . . 1.0 110.982 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.74 -41.69 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.828 1.251 . . . . 1.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.64 -39.69 85.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.178 0.991 . . . . 1.0 111.411 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.95 -27.79 69.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 118.643 -0.694 . . . . 1.0 112.697 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.74 -46.55 89.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.742 1.155 . . . . 1.0 109.719 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -64.81 -36.23 83.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.26 1.024 . . . . 1.0 111.326 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.79 83.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.731 0.812 . . . . 1.0 110.422 176.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -43.59 97.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.146 0.978 . . . . 1.0 111.996 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.48 -35.31 80.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.178 0.991 . . . . 1.0 112.86 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 C--O 1.238 0.489 0 C-N-CA 125.88 1.672 . . . . 1.0 110.438 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 113.595 0.961 . . . . 1.0 113.595 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -147.16 153.05 39.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.242 1.417 . . . . 1.0 111.477 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -73.98 -9.62 58.82 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.712 1.375 . . . . 1.0 114.712 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -131.66 165.24 24.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.28 1.432 . . . . 1.0 112.906 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.04 -178.34 45.76 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.444 1.497 . . . . 1.0 113.093 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -61.07 151.05 31.96 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.434 1.094 . . . . 1.0 113.462 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.82 -156.96 28.88 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.745 1.164 . . . . 1.0 112.962 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.62 -13.36 41.52 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.791 1.636 . . . . 1.0 114.252 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.93 174.03 0.18 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.029 2.132 . . . . 1.0 115.823 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -143.16 133.03 24.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.016 2.126 . . . . 1.0 108.525 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -112.07 40.11 2.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.645 1.578 . . . . 1.0 112.716 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.53 154.06 57.53 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.285 1.034 . . . . 1.0 112.582 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.89 143.82 29.15 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.592 2.861 . . . . 1.0 114.715 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.39 25.17 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.064 1.345 . . . . 1.0 112.076 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -175.69 168.31 40.59 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.133 1.349 . . . . 1.0 113.48 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -56.22 -43.4 78.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.086 1.354 . . . . 1.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.88 -43.81 87.22 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.036 0.934 . . . . 1.0 112.085 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.76 98.12 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.312 0.486 . . . . 1.0 112.312 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.5 t -65.89 -46.75 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.816 0.735 . . . . 1.0 111.232 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -65.59 -37.51 86.86 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.668 -0.645 . . . . 1.0 111.817 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -65.52 -44.07 88.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.165 0.586 . . . . 1.0 111.408 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.13 -42.27 98.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.846 0.858 . . . . 1.0 111.384 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.89 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.841 0.857 . . . . 1.0 109.997 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -59.19 -44.43 92.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.397 1.079 . . . . 1.0 113.17 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.63 -14.2 61.54 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.142 1.164 . . . . 1.0 114.142 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -134.5 39.25 3.05 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.052 1.341 . . . . 1.0 112.524 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.6 p -53.38 -18.57 2.68 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.543 1.682 . . . . 1.0 115.543 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.51 -21.18 56.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.755 1.622 . . . . 1.0 113.894 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.85 -19.54 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 114.983 1.475 . . . . 1.0 114.983 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -123.95 149.08 46.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.335 1.454 . . . . 1.0 109.377 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -151.85 169.49 22.14 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.109 0.964 . . . . 1.0 111.791 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.89 -19.3 50.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.766 1.227 . . . . 1.0 113.958 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.8 p -133.64 3.39 3.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.786 1.772 . . . . 1.0 115.786 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.84 145.86 10.87 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.643 1.565 . . . . 1.0 113.472 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -117.26 116.47 27.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.415 1.486 . . . . 1.0 109.259 173.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -76.96 -33.19 57.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.713 1.005 . . . . 1.0 113.713 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.11 -40.54 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.148 0.886 . . . . 1.0 110.588 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -98.99 6.6 46.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.704 1.202 . . . . 1.0 112.619 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m 36.84 55.63 1.19 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.387 2.675 . . . . 1.0 113.432 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.16 143.2 42.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.283 1.033 . . . . 1.0 113.465 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.89 146.98 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.982 1.313 . . . . 1.0 109.488 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -124.37 75.17 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.406 2.282 . . . . 1.0 108.855 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 pt -53.29 -15.75 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -155.51 160.43 40.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.055 1.342 . . . . 1.0 110.829 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.65 -34.69 69.62 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.95 0.9 . . . . 1.0 112.376 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -62.5 -41.49 98.86 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 1.0 111.904 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.42 -41.73 79.95 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.613 0.765 . . . . 1.0 110.431 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -60.21 -47.64 85.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.405 0.682 . . . . 1.0 110.642 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.6 -44.66 96.01 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.717 1.207 . . . . 1.0 111.476 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.91 86.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.78 0.718 . . . . 1.0 112.185 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.88 -51.29 62.8 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.49 0.552 . . . . 1.0 112.49 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -68.45 -27.75 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.837 1.051 . . . . 1.0 113.837 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -82.86 -15.04 53.09 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.499 1.045 . . . . 1.0 112.825 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -64.45 138.85 58.64 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.712 1.004 . . . . 1.0 113.712 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -62.44 -32.64 73.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.94 0.896 . . . . 1.0 111.484 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -61.89 -45.27 94.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.191 0.996 . . . . 1.0 111.212 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -63.76 -49.66 72.12 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.473 0.709 . . . . 1.0 110.653 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.51 91.81 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.49 -47.03 85.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.616 0.767 . . . . 1.0 111.093 176.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.47 -41.19 96.86 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.341 0.519 . . . . 1.0 111.611 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.83 -45.0 99.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.675 0.79 . . . . 1.0 111.118 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -59.49 -43.26 93.35 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.489 1.041 . . . . 1.0 111.399 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -64.93 -45.36 86.15 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.652 1.181 . . . . 1.0 111.756 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.7 -44.59 95.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.699 1.6 . . . . 1.0 111.751 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.4 mmt -61.51 -35.6 78.17 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.358 -0.839 . . . . 1.0 112.016 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.83 -12.05 61.11 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.008 1.114 . . . . 1.0 114.008 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.3 mm -71.83 -28.46 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.51 1.05 . . . . 1.0 111.109 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -54.52 119.96 5.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.688 0.795 . . . . 1.0 112.007 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -73.64 161.26 30.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.027 0.931 . . . . 1.0 112.489 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.01 176.75 48.17 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.547 1.07 . . . . 1.0 113.743 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -140.84 14.48 2.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.089 1.356 . . . . 1.0 113.637 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -138.66 35.18 2.21 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.866 1.666 . . . . 1.0 111.725 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.7 m -55.28 149.14 13.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.856 1.662 . . . . 1.0 113.919 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.39 135.73 75.63 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.299 1.039 . . . . 1.0 111.323 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -72.02 -7.01 20.24 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.261 2.641 . . . . 1.0 114.497 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.12 -12.2 59.34 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.11 1.522 . . . . 1.0 115.11 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -63.2 156.35 25.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.683 1.193 . . . . 1.0 112.524 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.84 156.14 21.41 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.029 1.332 . . . . 1.0 113.391 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -71.31 -19.65 62.29 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.372 1.469 . . . . 1.0 113.847 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -58.96 135.58 57.64 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.678 1.591 . . . . 1.0 112.066 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.92 28.85 1.12 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.969 1.308 . . . . 1.0 113.251 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 148.08 69.03 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.172 0.989 . . . . 1.0 112.994 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.68 134.6 40.81 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.164 3.242 . . . . 1.0 114.861 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.92 13.03 1.0 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.403 1.481 . . . . 1.0 113.143 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -154.02 -179.88 8.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.323 1.849 . . . . 1.0 111.406 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.0 mp -77.49 60.34 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.344 1.458 . . . . 1.0 110.414 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.0 m -58.49 -19.01 33.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.648 1.579 . . . . 1.0 114.874 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.59 -30.81 71.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.644 1.177 . . . . 1.0 113.494 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.72 171.36 22.78 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.646 1.117 . . . . 1.0 114.324 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.9 149.38 31.79 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.124 1.37 . . . . 1.0 113.05 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -141.19 -52.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.433 1.093 . . . . 1.0 113.825 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -152.8 -44.19 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.998 2.119 . . . . 1.0 111.54 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -64.8 -4.69 4.65 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.821 1.785 . . . . 1.0 115.821 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -135.5 -14.18 1.96 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.983 1.713 . . . . 1.0 114.713 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.4 p -150.03 162.81 39.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.81 1.411 . . . . 1.0 114.81 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.9 t -146.16 95.22 4.78 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.107 1.763 . . . . 1.0 110.307 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.28 -25.0 31.23 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.756 2.304 . . . . 1.0 113.293 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.81 -28.2 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.818 1.247 . . . . 1.0 111.52 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -121.27 1.3 10.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.428 1.891 . . . . 1.0 114.364 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.29 9.1 p30 45.95 54.16 8.3 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 129.087 2.955 . . . . 1.0 113.893 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.48 168.34 18.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.454 1.501 . . . . 1.0 112.884 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -130.96 160.26 35.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.455 1.902 . . . . 1.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -131.19 144.72 51.56 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.962 1.305 . . . . 1.0 111.794 -176.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 p -72.27 -35.19 68.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 m -144.79 156.63 55.74 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.219 1.407 . . . . 1.0 112.305 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.56 -41.58 44.35 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.991 3.127 . . . . 1.0 115.22 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.1 t -63.56 -34.24 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.567 -0.708 . . . . 1.0 112.029 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.76 -40.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.639 0.776 . . . . 1.0 109.69 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.66 77.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.049 0.54 . . . . 1.0 110.802 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.44 -43.06 88.62 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.584 -0.698 . . . . 1.0 111.123 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.9 m -59.78 -35.94 75.68 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.881 0.872 . . . . 1.0 112.127 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.1 -50.32 29.08 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.231 0.469 . . . . 1.0 111.122 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -60.7 -38.91 86.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.109 1.151 . . . . 1.0 114.109 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -81.34 -16.2 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.077 0.853 . . . . 1.0 113.214 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.97 161.78 33.42 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.524 1.059 . . . . 1.0 113.857 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.91 -21.09 66.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.977 1.102 . . . . 1.0 113.977 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 m -55.01 -44.06 74.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.57 1.148 . . . . 1.0 111.522 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -70.37 -44.91 67.1 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.592 0.757 . . . . 1.0 111.766 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.99 -34.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.179 1.392 . . . . 1.0 112.235 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.01 -43.47 77.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 1.0 110.318 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -70.45 -39.31 74.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.563 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.98 -47.85 67.9 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.649 1.568 . . . . 1.0 110.76 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.38 -44.1 92.82 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.296 1.038 . . . . 1.0 111.875 177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.77 -38.33 88.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.807 0.843 . . . . 1.0 112.616 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.05 -40.29 82.85 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.742 0.817 . . . . 1.0 111.18 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.31 -32.68 66.78 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.743 0.817 . . . . 1.0 112.765 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.635 1.574 . . . . 1.0 110.86 -179.886 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 113.743 1.016 . . . . 1.0 113.743 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.2 -25.08 63.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.586 1.155 . . . . 1.0 113.428 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.29 -16.96 57.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.07 1.348 . . . . 1.0 112.854 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -133.24 30.29 3.92 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.54 1.936 . . . . 1.0 111.378 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.37 -168.6 19.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.432 1.492 . . . . 1.0 113.551 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -153.38 127.94 9.34 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.529 1.131 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -22.38 63.28 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.339 0.971 . . . . 1.0 114.459 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.28 -14.87 62.66 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.948 1.299 . . . . 1.0 113.81 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 26.84 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.216 1.806 . . . . 1.0 114.743 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -133.24 125.89 30.34 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.078 2.151 . . . . 1.0 109.39 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -129.73 20.13 5.57 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.738 1.755 . . . . 1.0 115.738 -172.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.25 162.17 34.85 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 123.952 0.901 . . . . 1.0 112.525 178.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.45 154.09 72.56 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.277 1.985 . . . . 1.0 112.2 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.77 26.04 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 122.427 1.108 . . . . 1.0 113.023 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.11 161.96 32.32 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.838 1.209 . . . . 1.0 113.053 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.86 -41.44 74.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.762 1.225 . . . . 1.0 113.077 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.897 0.879 . . . . 1.0 112.113 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.82 80.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 1.0 111.075 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.31 -45.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.019 0.528 . . . . 1.0 110.531 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -58.99 -45.3 90.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.498 0.719 . . . . 1.0 111.417 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.1 m -64.19 -43.38 95.25 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.421 0.689 . . . . 1.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.1 -43.89 91.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.476 1.11 . . . . 1.0 111.402 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.89 -48.7 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.109 0.963 . . . . 1.0 110.049 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.04 -47.4 81.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.019 1.327 . . . . 1.0 112.643 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -15.87 62.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.526 1.13 . . . . 1.0 114.044 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -132.34 39.85 3.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.568 1.147 . . . . 1.0 113.769 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -54.16 -19.1 4.52 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.441 1.645 . . . . 1.0 115.441 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -77.77 -15.2 59.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.459 1.904 . . . . 1.0 114.135 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.3 pt -135.14 -20.86 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.631 1.345 . . . . 1.0 114.631 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -124.28 148.34 47.47 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.417 1.487 . . . . 1.0 109.283 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.8 p -152.11 171.81 17.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.858 0.837 . . . . 1.0 112.488 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.61 -20.28 60.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.108 1.363 . . . . 1.0 114.266 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -134.7 2.55 3.19 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.673 1.731 . . . . 1.0 115.673 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -161.83 146.2 12.76 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.481 1.491 . . . . 1.0 113.198 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.9 t -117.29 114.92 24.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.981 1.312 . . . . 1.0 109.361 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.58 -38.9 65.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.321 1.448 . . . . 1.0 114.034 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.26 -40.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 118.868 0.758 . . . . 1.0 111.091 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -97.23 0.86 48.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.971 1.308 . . . . 1.0 112.592 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m 37.37 55.73 1.38 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.487 2.715 . . . . 1.0 112.829 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.05 144.5 43.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.918 1.287 . . . . 1.0 112.901 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.84 146.69 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.939 1.296 . . . . 1.0 109.961 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.91 72.3 1.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.544 2.338 . . . . 1.0 108.579 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 pt -51.84 -21.79 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 117.133 2.272 . . . . 1.0 117.133 -174.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -145.62 157.32 43.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.295 1.438 . . . . 1.0 111.157 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.94 -40.49 76.5 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.466 -0.771 . . . . 1.0 112.438 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -60.64 -39.77 89.54 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.278 0.945 . . . . 1.0 111.988 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -66.11 -41.99 89.81 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.238 1.015 . . . . 1.0 110.665 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -61.76 -47.79 83.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.61 0.764 . . . . 1.0 110.537 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.15 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.292 1.037 . . . . 1.0 111.571 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.62 76.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.596 0.634 . . . . 1.0 112.073 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -61.54 -51.58 68.02 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.592 0.633 . . . . 1.0 112.593 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -65.6 -29.14 69.69 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.443 0.905 . . . . 1.0 113.443 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.92 -9.48 53.52 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.793 1.035 . . . . 1.0 113.793 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 m -74.63 141.56 44.64 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.12 -0.987 . . . . 1.0 112.339 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -57.09 -32.92 66.77 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.245 1.018 . . . . 1.0 113.221 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -59.94 -39.87 87.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.675 1.19 . . . . 1.0 112.179 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -66.17 -48.99 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.514 0.726 . . . . 1.0 110.245 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.18 85.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.048 0.539 . . . . 1.0 111.997 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.41 -47.34 86.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.415 0.686 . . . . 1.0 111.428 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.43 -38.48 91.18 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.905 -0.569 . . . . 1.0 112.431 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.13 -44.96 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.164 0.893 . . . . 1.0 110.56 174.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -61.12 -43.11 99.39 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.376 0.989 . . . . 1.0 111.789 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -61.97 -45.08 95.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.819 0.848 . . . . 1.0 111.145 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.5 -48.48 81.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.492 0.717 . . . . 1.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.0 mmt -57.47 -35.97 70.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.295 1.038 . . . . 1.0 112.57 177.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.96 72.4 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.73 0.812 . . . . 1.0 112.447 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.7 mt -72.89 -46.88 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.252 1.021 . . . . 1.0 109.654 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.72 148.0 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.27 1.428 . . . . 1.0 111.242 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.24 155.68 38.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.637 -0.664 . . . . 1.0 111.262 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.63 3.5 0.2 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.305 0.955 . . . . 1.0 115.441 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -137.83 3.77 2.5 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.54 1.536 . . . . 1.0 112.311 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -147.83 146.06 28.97 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.794 1.638 . . . . 1.0 111.503 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.0 m -155.3 19.85 0.42 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.132 2.173 . . . . 1.0 111.779 178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.55 131.25 80.29 Favored Pre-proline 0 N--CA 1.479 0.995 0 O-C-N 120.785 -1.197 . . . . 1.0 110.969 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -76.5 51.76 3.38 Favored 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 125.052 3.835 . . . . 1.0 112.721 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.37 -11.21 20.9 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.758 1.623 . . . . 1.0 115.366 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -73.97 58.1 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.1 2.16 . . . . 1.0 112.307 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -141.26 174.84 10.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.232 1.813 . . . . 1.0 113.363 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -61.98 154.83 25.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.7 1.6 . . . . 1.0 112.788 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -88.68 148.99 23.73 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.955 1.302 . . . . 1.0 111.297 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.71 142.67 56.24 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.781 0.833 . . . . 1.0 112.484 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.67 146.4 64.88 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.981 0.912 . . . . 1.0 112.034 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.45 147.7 41.66 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.189 2.592 . . . . 1.0 112.46 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.39 16.78 0.92 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.144 1.378 . . . . 1.0 113.416 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -76.74 -2.4 32.84 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.369 1.618 . . . . 1.0 115.369 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.7 mt -135.01 130.41 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.575 1.55 . . . . 1.0 109.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.4 p -149.8 -14.61 0.27 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.187 1.395 . . . . 1.0 114.432 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -66.84 -21.99 66.01 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.872 1.669 . . . . 1.0 115.004 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.31 -7.34 53.52 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.451 1.34 . . . . 1.0 116.451 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.98 -31.3 70.89 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.129 1.964 . . . . 1.0 111.491 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.27 -17.29 2.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.609 2.363 . . . . 1.0 114.037 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -126.47 11.71 7.43 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.802 1.641 . . . . 1.0 113.33 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -127.13 -32.82 2.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.781 1.233 . . . . 1.0 112.963 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.04 -15.06 20.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.949 1.299 . . . . 1.0 111.888 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -150.53 172.36 15.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.665 1.986 . . . . 1.0 112.228 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -136.54 102.11 9.69 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.672 1.989 . . . . 1.0 108.609 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.35 -19.11 25.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.064 2.509 . . . . 1.0 114.247 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.67 -41.73 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.161 0.891 . . . . 1.0 110.286 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.08 -12.33 20.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.003 1.321 . . . . 1.0 113.34 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.85 59.54 3.13 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.27 2.628 . . . . 1.0 112.022 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtm -133.58 167.73 19.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.545 1.538 . . . . 1.0 112.545 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.4 p -122.82 157.53 32.26 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.178 1.791 . . . . 1.0 111.782 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.27 147.15 52.55 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.192 1.397 . . . . 1.0 112.944 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.1 p -81.04 -15.28 56.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.668 1.187 . . . . 1.0 113.809 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -157.49 147.87 15.93 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.998 1.719 . . . . 1.0 111.192 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.01 -21.61 73.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.111 2.54 . . . . 1.0 112.841 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.88 -38.11 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.421 -0.799 . . . . 1.0 109.939 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 t -65.22 -41.78 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.756 0.822 . . . . 1.0 110.248 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.34 78.03 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.288 0.635 . . . . 1.0 111.203 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.31 -43.39 92.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.408 0.683 . . . . 1.0 112.177 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.2 m -67.46 -38.48 84.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.23 0.612 . . . . 1.0 112.057 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.44 -47.29 84.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.343 1.057 . . . . 1.0 112.043 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.63 -22.05 63.38 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.833 1.419 . . . . 1.0 114.833 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.3 pt -101.11 3.6 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.343 1.057 . . . . 1.0 112.952 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.49 155.72 18.95 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.269 1.414 . . . . 1.0 112.86 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.89 -30.96 64.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.101 1.149 . . . . 1.0 114.101 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.0 m -56.83 -44.29 81.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.077 0.951 . . . . 1.0 112.153 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.17 -43.43 70.85 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.679 -0.638 . . . . 1.0 111.343 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.67 -42.28 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.904 1.281 . . . . 1.0 111.202 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.29 -44.56 92.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.238 1.015 . . . . 1.0 110.613 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -63.08 -29.75 71.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 117.986 -1.007 . . . . 1.0 113.1 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.1 -46.11 79.2 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.547 1.521 . . . . 1.0 110.42 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -66.09 -41.72 90.29 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.709 1.204 . . . . 1.0 111.725 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -43.32 99.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.192 0.597 . . . . 1.0 112.055 177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -71.16 -38.65 72.18 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.613 0.765 . . . . 1.0 112.415 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -35.75 77.53 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.749 0.819 . . . . 1.0 112.065 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 126.114 1.766 . . . . 1.0 109.977 -179.742 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.241 0 CA-C-O 122.113 0.84 . . . . 1.0 114.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.94 -39.87 72.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.21 1.404 . . . . 1.0 114.092 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.34 -44.03 97.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.322 0.649 . . . . 1.0 111.984 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.79 80.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.034 0.534 . . . . 1.0 111.458 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.29 0.495 . . . . 1.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.17 -43.15 99.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.966 0.803 . . . . 1.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 m -62.55 -44.32 96.63 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.858 -0.526 . . . . 1.0 111.347 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.44 -41.6 94.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.713 1.205 . . . . 1.0 111.748 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.9 -50.09 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.09 0.956 . . . . 1.0 110.045 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.85 -42.45 99.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.697 0.799 . . . . 1.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.73 -13.79 62.2 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.779 1.029 . . . . 1.0 113.779 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -133.06 37.01 3.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.342 1.457 . . . . 1.0 112.177 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -52.95 -19.5 2.65 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.574 1.694 . . . . 1.0 115.574 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -75.81 -21.09 57.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.681 1.593 . . . . 1.0 113.746 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.4 pt -130.93 -19.94 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.147 1.536 . . . . 1.0 115.147 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -123.12 149.6 44.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.567 1.547 . . . . 1.0 109.444 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -151.3 169.6 21.56 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.267 1.027 . . . . 1.0 111.633 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.38 -15.14 23.24 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.983 1.313 . . . . 1.0 114.187 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -143.2 10.47 1.71 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -162.26 142.81 10.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 119.921 -1.737 . . . . 1.0 112.693 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.05 114.67 24.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 1.0 108.542 173.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -73.79 -36.1 64.98 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.585 0.754 . . . . 1.0 112.964 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.1 t -55.66 -43.35 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.973 0.909 . . . . 1.0 111.142 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -97.05 2.67 51.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.289 1.436 . . . . 1.0 112.649 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 38.5 55.63 1.85 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.21 2.604 . . . . 1.0 112.601 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.54 143.32 43.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.791 1.236 . . . . 1.0 112.826 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.39 148.56 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.821 1.248 . . . . 1.0 109.561 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.0 mt -125.33 72.49 1.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.812 2.445 . . . . 1.0 108.414 -175.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -14.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 116.896 2.184 . . . . 1.0 116.896 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -152.68 158.57 42.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.07 1.348 . . . . 1.0 110.879 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -57.19 -35.66 69.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.112 0.965 . . . . 1.0 112.523 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -62.09 -39.67 93.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.834 1.197 . . . . 1.0 112.165 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -69.12 -41.21 77.67 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.674 -0.641 . . . . 1.0 110.41 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -59.96 -47.6 85.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.963 0.801 . . . . 1.0 111.121 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.38 -41.67 98.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.951 1.3 . . . . 1.0 111.459 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.17 71.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.618 0.645 . . . . 1.0 112.3 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.11 -51.31 67.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.703 0.683 . . . . 1.0 112.445 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -66.49 -19.25 65.74 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -100.21 -5.49 27.57 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.636 1.174 . . . . 1.0 112.565 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 t -67.26 142.75 56.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.46 1.104 . . . . 1.0 112.99 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.8 mmt-85 -65.01 -32.36 74.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.855 0.862 . . . . 1.0 111.234 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -65.3 -45.29 84.97 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.032 0.933 . . . . 1.0 110.96 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.015 0.926 . . . . 1.0 110.912 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.29 86.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.765 0.654 . . . . 1.0 112.765 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -63.92 -43.58 95.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.722 -0.611 . . . . 1.0 110.879 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -60.35 -43.81 96.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.689 0.796 . . . . 1.0 111.368 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 124.288 1.035 . . . . 1.0 110.782 175.689 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.19 1.182 . . . . 1.0 114.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -129.76 -23.05 2.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.738 1.384 . . . . 1.0 114.738 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.79 163.94 37.42 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.27 1.395 . . . . 1.0 114.501 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -136.22 108.15 9.56 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 125.204 1.402 . . . . 1.0 110.493 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.22 -19.46 25.85 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.144 2.562 . . . . 1.0 114.236 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.5 -41.58 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.272 0.942 . . . . 1.0 109.968 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 57.2 m -95.59 -16.7 21.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.957 1.303 . . . . 1.0 113.36 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.79 56.23 4.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.762 2.425 . . . . 1.0 111.346 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.8 mtm -135.13 167.19 21.43 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.572 1.549 . . . . 1.0 112.723 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.4 p -126.65 159.28 34.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.301 1.84 . . . . 1.0 111.262 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -131.11 144.96 51.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.356 1.462 . . . . 1.0 111.107 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.5 p -69.2 -39.64 78.51 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.302 1.223 . . . . 1.0 114.302 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.3 t -139.77 149.38 59.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.596 1.558 . . . . 1.0 111.959 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.39 -37.75 25.73 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 124.094 3.196 . . . . 1.0 114.856 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.29 -35.65 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 119.106 0.866 . . . . 1.0 112.039 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.08 -41.51 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.779 0.831 . . . . 1.0 109.689 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.72 91.01 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.188 0.595 . . . . 1.0 111.529 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.44 -43.29 93.16 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.542 -0.724 . . . . 1.0 110.609 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.4 m -63.45 -40.01 96.0 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.111 0.964 . . . . 1.0 111.802 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.44 -50.54 69.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.713 0.805 . . . . 1.0 111.683 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -61.17 -14.79 27.63 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.2 1.555 . . . . 1.0 115.2 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.74 1.53 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.933 1.293 . . . . 1.0 113.334 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.08 170.02 14.84 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.879 1.228 . . . . 1.0 114.635 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.62 -29.99 64.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.554 1.141 . . . . 1.0 113.943 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.5 m -53.21 -44.18 67.81 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.403 1.081 . . . . 1.0 111.889 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.49 -46.04 64.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.047 0.539 . . . . 1.0 111.545 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.86 -40.59 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.841 1.257 . . . . 1.0 112.462 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -57.95 -36.88 73.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.236 1.014 . . . . 1.0 111.103 174.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 . . . . . 0 CA--C 1.541 0.629 0 CA-C-O 118.09 -0.957 . . . . 1.0 112.724 176.346 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 112.773 -0.131 . . . . 1.0 112.773 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -56.07 -37.5 69.38 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.4 -44.89 95.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.339 0.655 . . . . 1.0 111.664 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.55 80.25 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.148 0.579 . . . . 1.0 111.332 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.78 -43.08 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.353 0.661 . . . . 1.0 110.68 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.93 -47.18 86.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.792 0.837 . . . . 1.0 111.353 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.6 m -63.97 -42.03 97.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.226 0.466 . . . . 1.0 111.643 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.97 -43.23 95.23 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.388 1.075 . . . . 1.0 111.375 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.13 -47.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.063 0.945 . . . . 1.0 110.007 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.33 -47.13 84.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.254 1.021 . . . . 1.0 112.496 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.14 -14.11 61.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -131.42 35.24 3.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.252 1.421 . . . . 1.0 112.622 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -53.43 -22.45 7.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.128 1.529 . . . . 1.0 115.128 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -74.01 -12.68 60.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.078 1.751 . . . . 1.0 113.936 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.33 -24.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.041 1.497 . . . . 1.0 115.041 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -120.18 150.74 40.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.989 1.316 . . . . 1.0 110.042 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.8 p -154.06 169.1 24.32 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.395 1.078 . . . . 1.0 112.022 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.09 -19.34 43.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.228 1.411 . . . . 1.0 114.085 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.6 p -134.68 3.08 3.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.893 1.812 . . . . 1.0 115.893 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -161.96 144.84 11.79 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 1.0 113.327 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.14 114.91 24.38 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.163 1.385 . . . . 1.0 109.115 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -78.78 -32.04 46.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.7 -32.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 118.996 0.816 . . . . 1.0 111.269 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -108.45 9.12 27.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.017 1.327 . . . . 1.0 112.568 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m 34.96 55.45 0.74 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.427 2.691 . . . . 1.0 113.804 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.09 144.76 43.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.364 1.066 . . . . 1.0 113.287 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 t -91.21 148.48 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.8 1.24 . . . . 1.0 109.228 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 mt -130.35 67.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.459 2.304 . . . . 1.0 108.574 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 pt -63.33 -9.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -137.64 150.13 47.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.265 1.426 . . . . 1.0 110.951 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.13 -37.95 75.6 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.675 -0.641 . . . . 1.0 112.268 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.2 p -60.07 -40.28 89.0 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.341 -0.849 . . . . 1.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.89 -45.09 87.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.086 0.554 . . . . 1.0 110.286 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -61.22 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.293 0.637 . . . . 1.0 111.448 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.45 -42.73 98.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.947 0.899 . . . . 1.0 111.877 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.71 -42.09 74.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.305 0.957 . . . . 1.0 112.176 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.92 -51.54 63.99 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.765 -0.584 . . . . 1.0 112.165 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -68.11 -17.9 64.5 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.162 1.171 . . . . 1.0 114.162 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.95 -8.32 28.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.485 1.114 . . . . 1.0 113.3 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -74.74 145.94 42.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.71 -27.87 69.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.519 1.127 . . . . 1.0 112.359 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -61.04 -43.03 99.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.766 0.826 . . . . 1.0 110.906 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -62.5 -46.2 89.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.885 0.874 . . . . 1.0 111.158 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.13 86.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.692 0.678 . . . . 1.0 112.427 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -63.59 -46.96 83.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.256 0.622 . . . . 1.0 111.331 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -62.88 -41.05 99.27 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.726 -0.609 . . . . 1.0 112.076 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 118.717 -0.658 . . . . 1.0 110.45 175.358 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 113.523 0.934 . . . . 1.0 113.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -103.73 -33.4 8.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.65 1.18 . . . . 1.0 113.7 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.6 p -150.51 171.37 17.17 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.911 1.819 . . . . 1.0 115.911 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.0 t -135.94 91.96 16.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.127 1.771 . . . . 1.0 108.987 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.46 -18.31 49.27 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.893 2.395 . . . . 1.0 113.653 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.79 -35.69 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.008 . . . . 1.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.31 -7.88 14.78 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.555 1.542 . . . . 1.0 113.645 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.5 t30 55.35 59.63 3.83 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.061 2.944 . . . . 1.0 112.428 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 63.5 mtm -134.31 166.67 22.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.523 1.529 . . . . 1.0 112.311 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -128.49 158.64 37.83 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.23 1.812 . . . . 1.0 111.977 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -131.19 147.01 52.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.774 1.229 . . . . 1.0 112.894 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -84.58 -10.97 56.89 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.177 1.391 . . . . 1.0 114.29 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -156.38 149.67 18.75 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 125.381 1.472 . . . . 1.0 111.589 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.45 -29.43 85.11 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.913 2.409 . . . . 1.0 112.244 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.46 -39.82 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.307 -0.871 . . . . 1.0 110.53 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.95 -42.25 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.887 0.875 . . . . 1.0 109.868 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.74 68.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.269 0.628 . . . . 1.0 111.955 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.76 -42.01 96.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.609 -0.682 . . . . 1.0 111.442 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 t -59.72 -40.6 88.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.983 0.913 . . . . 1.0 111.543 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -66.64 -50.37 63.19 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.605 -0.684 . . . . 1.0 111.487 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -57.32 -34.06 68.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.351 1.241 . . . . 1.0 114.351 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -87.22 -7.32 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.223 0.919 . . . . 1.0 113.422 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.9 154.59 34.05 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.46 1.029 . . . . 1.0 114.002 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.77 -32.74 70.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.845 0.858 . . . . 1.0 113.297 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.4 m -57.3 -42.12 81.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.203 1.001 . . . . 1.0 111.603 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -68.12 -43.72 77.73 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.125 0.57 . . . . 1.0 111.147 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.92 -42.89 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.418 1.087 . . . . 1.0 111.041 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.61 -38.24 86.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.731 0.812 . . . . 1.0 111.29 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 118.202 -0.904 . . . . 1.0 112.667 176.138 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 114.488 0.555 . . . . 1.0 114.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.66 -43.1 75.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.805 1.642 . . . . 1.0 112.688 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -64.45 -44.56 90.73 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.525 0.73 . . . . 1.0 111.899 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.17 90.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.981 0.512 . . . . 1.0 111.629 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.64 -43.0 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 118.469 0.577 . . . . 1.0 110.502 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.82 -47.41 84.91 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.509 -0.744 . . . . 1.0 111.546 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -65.14 -40.2 94.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.018 0.527 . . . . 1.0 111.983 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.33 -43.33 99.05 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.033 0.933 . . . . 1.0 111.573 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.28 -48.42 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 123.833 0.853 . . . . 1.0 109.637 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.81 -46.72 84.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.713 1.205 . . . . 1.0 113.127 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.78 -14.65 62.05 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -131.15 35.88 3.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.272 1.429 . . . . 1.0 112.402 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -53.19 -19.81 3.39 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.572 1.693 . . . . 1.0 115.572 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -76.03 -20.47 57.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.674 1.589 . . . . 1.0 113.734 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.6 pt -130.93 -19.41 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -123.58 144.47 49.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.55 1.54 . . . . 1.0 109.044 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -145.85 172.72 12.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.892 0.877 . . . . 1.0 112.169 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.96 -16.3 50.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.048 1.339 . . . . 1.0 113.592 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -137.48 2.35 2.46 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.642 1.719 . . . . 1.0 115.642 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -159.9 147.24 16.56 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.787 1.63 . . . . 1.0 113.35 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.2 t -117.24 114.4 23.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.802 1.241 . . . . 1.0 108.179 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.07 -34.58 64.07 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.615 0.766 . . . . 1.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.8 t -55.55 -48.3 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.388 1.075 . . . . 1.0 110.835 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -93.13 2.83 56.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.051 1.34 . . . . 1.0 112.606 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t 38.44 55.92 1.81 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.527 2.731 . . . . 1.0 112.597 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 143.92 42.6 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 1.0 112.835 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.89 147.12 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.735 1.214 . . . . 1.0 109.469 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -123.34 71.69 1.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.705 2.402 . . . . 1.0 108.591 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.25 -7.79 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 117.523 2.416 . . . . 1.0 117.523 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -155.74 156.45 34.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.241 1.416 . . . . 1.0 110.835 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -59.11 -36.05 74.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.699 0.8 . . . . 1.0 112.639 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.7 p -63.16 -40.42 97.49 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.411 1.005 . . . . 1.0 111.705 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -67.22 -42.41 84.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.326 0.651 . . . . 1.0 110.543 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -60.83 -47.5 86.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.766 0.712 . . . . 1.0 111.067 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.09 -43.5 98.69 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.323 1.049 . . . . 1.0 111.408 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.57 81.97 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.874 0.761 . . . . 1.0 112.047 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -63.12 -51.34 66.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.243 0.617 . . . . 1.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.16 -18.24 64.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.347 1.24 . . . . 1.0 114.347 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.42 -10.43 23.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.185 0.994 . . . . 1.0 112.877 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -67.39 143.03 56.52 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.668 1.187 . . . . 1.0 113.578 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -61.0 -28.03 68.74 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.472 1.109 . . . . 1.0 112.499 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.03 -42.46 97.07 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.192 0.997 . . . . 1.0 111.295 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -59.77 -43.28 94.42 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.966 0.906 . . . . 1.0 112.337 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.268 0.94 . . . . 1.0 112.194 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -64.31 -42.09 96.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.385 0.674 . . . . 1.0 111.34 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.89 -43.01 97.29 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.396 0.678 . . . . 1.0 111.656 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 1.0 110.3 175.431 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 121.605 3.928 . . . . 1.0 121.605 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -125.28 -14.08 6.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.615 2.766 . . . . 1.0 112.026 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 29.9 p -138.35 161.32 37.24 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.458 1.903 . . . . 1.0 111.017 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.8 t -144.98 89.51 6.49 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.131 1.372 . . . . 1.0 110.108 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.3 -19.7 43.63 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.575 2.183 . . . . 1.0 112.752 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.74 -27.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.455 1.502 . . . . 1.0 111.315 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -126.86 -5.5 6.27 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.835 1.654 . . . . 1.0 114.387 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.2 t30 56.13 56.85 5.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 129.248 3.019 . . . . 1.0 112.895 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.1 mtm -138.79 174.91 10.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.707 1.603 . . . . 1.0 112.615 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -132.06 162.88 29.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.778 1.631 . . . . 1.0 112.897 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -131.24 147.09 52.55 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.537 1.535 . . . . 1.0 112.51 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 p -79.35 -16.1 56.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.636 1.175 . . . . 1.0 113.838 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 t -159.0 149.02 15.25 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 125.631 1.572 . . . . 1.0 111.611 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -61.71 -22.35 74.19 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.901 2.401 . . . . 1.0 112.669 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.86 -39.81 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.325 -0.859 . . . . 1.0 109.973 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.33 -41.41 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.873 0.869 . . . . 1.0 109.954 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.17 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.487 0.715 . . . . 1.0 111.954 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.48 -43.05 88.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.846 0.858 . . . . 1.0 111.436 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -67.87 -37.06 81.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.134 0.574 . . . . 1.0 111.759 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.93 -42.54 97.32 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.473 -0.767 . . . . 1.0 112.37 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.64 -24.98 52.14 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.518 1.303 . . . . 1.0 114.518 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.47 3.17 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.758 1.223 . . . . 1.0 113.073 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.63 142.78 22.07 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.321 0.962 . . . . 1.0 110.911 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -51.49 -38.03 51.96 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.176 1.176 . . . . 1.0 114.176 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.6 m -57.5 -44.0 84.64 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.941 0.896 . . . . 1.0 111.731 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -70.1 -42.86 72.13 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.161 0.584 . . . . 1.0 111.153 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.67 -44.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.364 1.065 . . . . 1.0 111.532 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.15 -39.17 85.42 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.766 0.712 . . . . 1.0 111.208 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 118.099 -0.953 . . . . 1.0 113.271 177.488 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 CA-C-O 122.02 0.789 . . . . 1.0 114.69 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -57.64 -29.86 64.92 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.605 1.162 . . . . 1.0 114.027 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.96 -44.56 84.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.937 0.895 . . . . 1.0 112.083 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.5 82.03 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.708 -0.62 . . . . 1.0 110.951 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.1 -41.69 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.176 0.59 . . . . 1.0 110.451 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -60.21 -47.36 86.28 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.453 -0.779 . . . . 1.0 110.918 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -60.94 -44.34 97.38 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.833 0.453 . . . . 1.0 111.391 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.42 -45.02 95.1 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.909 1.284 . . . . 1.0 112.21 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.87 -45.93 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.045 0.938 . . . . 1.0 110.957 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -66.93 -30.64 70.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.517 1.127 . . . . 1.0 113.546 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.5 -14.36 46.22 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.863 0.865 . . . . 1.0 113.148 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -135.0 37.84 3.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.038 1.335 . . . . 1.0 112.698 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -57.87 -14.65 6.48 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.237 1.569 . . . . 1.0 115.237 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -76.01 -19.29 58.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.365 1.466 . . . . 1.0 113.027 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 pt -129.88 -19.03 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.479 1.511 . . . . 1.0 115.027 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -124.89 151.78 44.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.302 . . . . 1.0 110.093 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -155.08 170.16 22.43 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.168 0.987 . . . . 1.0 112.324 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.81 -20.44 50.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.072 1.349 . . . . 1.0 114.096 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -134.79 5.02 3.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -162.97 144.82 10.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.817 1.644 . . . . 1.0 113.331 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -117.17 117.08 28.61 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.259 1.423 . . . . 1.0 109.285 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -75.89 -37.59 58.68 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.629 0.974 . . . . 1.0 113.629 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.3 t -58.28 -37.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.849 0.749 . . . . 1.0 111.188 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.0 m -103.11 8.98 38.62 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.367 1.467 . . . . 1.0 112.346 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.6 p 32.35 54.38 0.34 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.129 2.971 . . . . 1.0 114.357 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.46 45.1 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.729 1.212 . . . . 1.0 113.373 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.85 149.17 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.186 1.395 . . . . 1.0 109.606 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.1 mt -125.46 74.19 1.37 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.28 2.232 . . . . 1.0 108.688 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 pt -54.82 -13.98 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 117.051 2.241 . . . . 1.0 117.051 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -154.46 158.11 39.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.46 1.504 . . . . 1.0 111.053 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.81 -37.79 71.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.653 0.781 . . . . 1.0 112.904 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.3 p -59.98 -37.62 80.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.522 1.056 . . . . 1.0 112.382 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -69.33 -44.3 71.96 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 1.0 109.802 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -60.3 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.408 0.683 . . . . 1.0 111.113 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.5 -42.97 99.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.033 0.933 . . . . 1.0 111.797 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.92 73.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.034 0.834 . . . . 1.0 112.388 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.99 -51.28 62.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.251 0.621 . . . . 1.0 112.204 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -66.3 -25.49 66.87 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.812 1.042 . . . . 1.0 113.812 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.36 -10.68 43.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -64.21 140.98 58.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.48 1.112 . . . . 1.0 113.815 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -62.86 -34.09 76.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.1 0.96 . . . . 1.0 111.384 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -64.26 -45.72 86.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.133 0.973 . . . . 1.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.0 -49.28 76.68 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.552 0.741 . . . . 1.0 110.546 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.63 87.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.919 0.487 . . . . 1.0 112.224 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.66 -47.1 86.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.558 0.743 . . . . 1.0 111.506 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.231 0.613 . . . . 1.0 111.989 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.939 0.896 . . . . 1.0 111.073 175.778 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.7 p . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 113.934 1.087 . . . . 1.0 113.934 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -132.27 -10.03 3.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.841 1.656 . . . . 1.0 114.572 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.83 152.27 40.04 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.215 1.406 . . . . 1.0 112.292 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 25.7 t -136.3 89.99 18.57 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 126.2 1.8 . . . . 1.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.86 -23.46 47.67 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.574 2.183 . . . . 1.0 112.71 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.21 -34.45 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.194 1.397 . . . . 1.0 111.251 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -118.82 -0.03 11.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.288 1.435 . . . . 1.0 114.107 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.309 0.9 OUTLIER 51.11 54.89 10.41 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 129.422 3.089 . . . . 1.0 114.092 -176.453 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.4 mtm -133.11 169.95 16.11 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.585 1.554 . . . . 1.0 112.659 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.9 p -131.75 159.52 38.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.969 1.708 . . . . 1.0 112.239 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.34 147.13 52.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.502 1.521 . . . . 1.0 112.599 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -77.85 -19.41 54.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.371 1.248 . . . . 1.0 114.371 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -160.23 158.51 26.04 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.887 1.675 . . . . 1.0 111.981 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.71 -30.12 91.35 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.458 2.772 . . . . 1.0 113.778 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.56 -38.09 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.487 -0.758 . . . . 1.0 110.637 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.13 -34.42 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.287 1.035 . . . . 1.0 110.765 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.06 72.81 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.395 -0.816 . . . . 1.0 109.584 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.06 -43.22 95.57 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.233 1.013 . . . . 1.0 112.467 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 p -60.1 -35.57 75.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.025 0.829 . . . . 1.0 112.181 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.98 -47.01 61.31 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.608 0.763 . . . . 1.0 111.058 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.61 -32.36 72.48 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.93 -4.77 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.481 1.037 . . . . 1.0 113.428 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.06 149.2 19.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.666 1.127 . . . . 1.0 113.354 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.47 -28.7 67.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.407 1.083 . . . . 1.0 113.882 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 m -54.44 -41.02 68.91 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.398 1.079 . . . . 1.0 112.07 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -69.0 -44.59 72.51 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.631 -0.668 . . . . 1.0 111.081 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.45 -37.9 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.723 1.209 . . . . 1.0 112.182 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -59.48 -40.93 88.57 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.281 -0.887 . . . . 1.0 110.449 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 118.219 -0.896 . . . . 1.0 112.037 175.549 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 112.792 -0.123 . . . . 1.0 112.792 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -55.98 -43.02 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.814 0.846 . . . . 1.0 112.911 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.76 -41.99 98.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.085 0.954 . . . . 1.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -43.76 77.97 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.057 0.543 . . . . 1.0 111.378 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.71 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.419 0.554 . . . . 1.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.11 -46.96 88.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.483 -0.761 . . . . 1.0 111.053 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.0 m -58.73 -44.04 90.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.139 0.576 . . . . 1.0 111.597 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.34 -41.45 93.62 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.86 1.264 . . . . 1.0 111.883 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.747 0.819 . . . . 1.0 109.888 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -45.67 82.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.598 1.159 . . . . 1.0 112.325 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.66 -14.42 62.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.093 1.146 . . . . 1.0 114.093 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -132.2 36.35 3.64 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.06 1.344 . . . . 1.0 112.68 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -54.42 -18.32 4.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -76.12 -15.4 60.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.852 1.661 . . . . 1.0 113.839 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.39 -21.57 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.443 1.497 . . . . 1.0 114.633 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -120.0 153.68 35.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.482 1.513 . . . . 1.0 110.313 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.0 p -156.14 169.98 23.25 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.544 1.138 . . . . 1.0 111.041 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.97 -10.46 49.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.63 0.98 3.33 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.345 1.609 . . . . 1.0 115.345 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -163.5 146.15 9.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.421 1.464 . . . . 1.0 113.42 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.17 114.68 24.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.179 1.392 . . . . 1.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -76.63 -32.5 58.06 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.11 -37.64 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.389 0.995 . . . . 1.0 111.037 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.7 m -100.22 6.07 44.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 1.0 112.463 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m 36.65 53.61 1.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.671 2.788 . . . . 1.0 113.53 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.19 146.46 44.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.519 1.127 . . . . 1.0 113.384 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -88.03 148.36 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.139 1.376 . . . . 1.0 109.69 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.05 77.22 1.44 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.396 2.279 . . . . 1.0 108.02 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -51.2 -20.52 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 117.096 2.258 . . . . 1.0 117.096 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 t -156.27 171.16 20.68 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.889 1.275 . . . . 1.0 111.377 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.75 -42.29 79.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.136 0.974 . . . . 1.0 111.666 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.518 1.053 . . . . 1.0 112.633 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -65.69 -42.45 91.19 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.815 -0.553 . . . . 1.0 110.327 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -60.63 -47.42 86.29 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.437 0.562 . . . . 1.0 111.185 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.22 -44.57 95.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.567 1.147 . . . . 1.0 111.804 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.84 -42.64 76.88 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.641 0.655 . . . . 1.0 112.407 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -63.56 -51.18 66.51 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.206 0.602 . . . . 1.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.22 -26.87 66.81 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.043 1.127 . . . . 1.0 114.043 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.6 -11.35 51.7 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.958 0.799 . . . . 1.0 113.139 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -67.91 140.88 56.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.072 1.138 . . . . 1.0 114.072 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -63.53 -32.8 74.37 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.11 . . . . 1.0 111.838 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.94 -45.34 92.91 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.236 1.015 . . . . 1.0 111.168 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.28 -49.46 75.57 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.741 0.817 . . . . 1.0 110.678 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.52 88.09 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.522 0.564 . . . . 1.0 112.522 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.707 -0.621 . . . . 1.0 111.657 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -63.33 -41.92 98.92 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.453 -0.779 . . . . 1.0 111.643 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.0 t . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 123.815 0.846 . . . . 1.0 110.463 174.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -129.7 -17.82 3.57 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.693 1.597 . . . . 1.0 114.256 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.3 p -150.0 165.34 32.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.878 1.436 . . . . 1.0 114.878 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.7 t -139.75 90.6 10.98 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.359 1.864 . . . . 1.0 109.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.33 -19.02 50.26 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.484 2.122 . . . . 1.0 113.299 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.4 -22.14 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.831 1.252 . . . . 1.0 111.712 176.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.1 m -127.35 -8.35 5.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.015 1.726 . . . . 1.0 113.672 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.9 m120 57.21 56.79 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 129.085 2.954 . . . . 1.0 112.9 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 68.8 mtm -135.57 171.0 15.07 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.601 1.56 . . . . 1.0 112.456 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -127.56 159.45 34.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.595 1.558 . . . . 1.0 113.512 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -131.3 147.26 52.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.472 1.909 . . . . 1.0 112.398 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 p -78.26 -34.28 49.12 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.76 1.022 . . . . 1.0 113.76 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.2 m -145.52 158.56 50.25 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.94 1.296 . . . . 1.0 113.056 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -50.7 -40.85 55.81 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.106 3.204 . . . . 1.0 115.303 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.14 -37.34 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 1.0 111.704 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.47 -37.87 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.785 0.834 . . . . 1.0 110.754 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.43 84.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.88 0.472 . . . . 1.0 111.084 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.25 -43.4 98.94 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.811 -0.555 . . . . 1.0 111.648 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.7 m -60.92 -37.19 81.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 1.0 112.078 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -69.13 -47.76 64.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.723 -0.61 . . . . 1.0 111.053 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -57.6 -33.17 67.93 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.423 1.268 . . . . 1.0 114.423 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -84.61 -5.0 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 113.339 0.866 . . . . 1.0 113.339 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.25 150.73 23.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.668 1.127 . . . . 1.0 113.313 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -58.44 -31.57 67.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.7 m -58.52 -42.22 87.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.088 0.955 . . . . 1.0 111.367 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.03 -45.68 66.66 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.705 -0.622 . . . . 1.0 110.923 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.73 -39.08 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.404 1.082 . . . . 1.0 111.801 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.2 ttmt -59.39 -45.47 91.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.371 -0.831 . . . . 1.0 110.206 174.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 117.809 -1.091 . . . . 1.0 112.686 176.689 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.323 0 CA-C-O 122.352 0.973 . . . . 1.0 115.281 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.71 -42.72 75.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.96 1.704 . . . . 1.0 113.553 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.15 -49.01 77.54 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.607 0.763 . . . . 1.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.36 96.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.955 0.502 . . . . 1.0 111.926 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.28 -42.94 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 119.032 -0.509 . . . . 1.0 110.91 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -62.16 -47.7 83.35 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.536 1.062 . . . . 1.0 110.919 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -58.14 -43.97 87.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.368 0.985 . . . . 1.0 111.746 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -58.97 -43.41 91.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.214 1.006 . . . . 1.0 111.878 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.38 -48.68 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.807 0.843 . . . . 1.0 110.627 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -58.41 -44.08 88.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.313 1.045 . . . . 1.0 112.598 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.06 -15.16 60.64 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -131.62 39.42 3.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.853 1.261 . . . . 1.0 112.799 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -55.17 -17.82 4.87 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.102 1.519 . . . . 1.0 115.102 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -76.8 -15.5 59.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.955 1.702 . . . . 1.0 113.774 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.0 pt -134.5 -22.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.14 152.13 40.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.111 1.364 . . . . 1.0 109.875 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -153.99 172.21 17.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.038 0.935 . . . . 1.0 112.093 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.12 -21.21 61.28 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.177 1.177 . . . . 1.0 114.177 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 p -135.7 6.23 3.19 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.026 1.861 . . . . 1.0 116.026 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -161.73 144.94 12.22 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.447 1.476 . . . . 1.0 113.21 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -117.01 115.02 24.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.179 1.392 . . . . 1.0 108.807 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -77.14 -34.45 56.55 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.624 0.972 . . . . 1.0 113.624 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -58.25 -39.15 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.723 0.809 . . . . 1.0 111.161 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -100.64 5.13 43.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.021 1.328 . . . . 1.0 112.487 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 36.47 56.55 1.1 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 128.636 2.774 . . . . 1.0 113.061 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 145.19 43.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.764 1.226 . . . . 1.0 112.97 -176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 t -90.47 148.75 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.69 1.196 . . . . 1.0 109.269 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -130.54 71.65 1.47 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.359 2.264 . . . . 1.0 108.479 -175.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.4 pt -66.53 2.08 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 116.052 1.871 . . . . 1.0 116.052 -174.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -147.97 148.58 30.91 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.638 1.575 . . . . 1.0 110.599 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.73 -34.95 73.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.707 -0.62 . . . . 1.0 111.69 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 m -63.67 -39.04 93.34 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.34 0.973 . . . . 1.0 111.631 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -64.83 -45.07 87.71 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.886 -0.509 . . . . 1.0 110.23 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -60.37 -47.46 85.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.458 0.703 . . . . 1.0 111.237 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.85 -43.27 99.18 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.334 1.054 . . . . 1.0 112.153 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.18 73.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.0 0.818 . . . . 1.0 112.306 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.01 -51.4 64.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.385 0.674 . . . . 1.0 112.278 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -66.93 -25.96 66.61 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -86.63 -14.61 42.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.087 0.858 . . . . 1.0 113.282 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -64.16 140.15 58.84 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.802 1.038 . . . . 1.0 113.802 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.74 -31.69 73.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.019 0.927 . . . . 1.0 111.286 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -63.39 -41.57 98.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.19 0.996 . . . . 1.0 111.23 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -63.7 -49.26 73.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.723 0.809 . . . . 1.0 109.872 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.34 81.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.785 0.661 . . . . 1.0 112.785 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.49 -45.18 92.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.573 -0.705 . . . . 1.0 111.306 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.6 -41.48 96.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.11 0.564 . . . . 1.0 111.614 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 N--CA 1.476 0.835 0 CA-C-N 118.744 0.702 . . . . 1.0 110.87 176.082 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 113.883 1.068 . . . . 1.0 113.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -134.56 -15.11 2.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.147 2.179 . . . . 1.0 113.651 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -146.64 144.95 29.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.906 1.282 . . . . 1.0 111.733 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 37.2 t -129.66 90.91 42.14 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.846 2.058 . . . . 1.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.62 -24.08 56.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.979 2.453 . . . . 1.0 113.024 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.67 -33.14 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.153 1.381 . . . . 1.0 111.226 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.0 m -114.85 -1.86 13.07 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.314 1.846 . . . . 1.0 114.344 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 50.39 57.57 6.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.77 2.828 . . . . 1.0 112.79 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.4 ptm -149.25 168.94 21.93 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.529 1.532 . . . . 1.0 112.774 -176.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 53.6 p -126.74 168.48 14.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.824 1.649 . . . . 1.0 112.774 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -131.09 147.0 52.56 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.151 1.38 . . . . 1.0 112.446 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 p -78.81 -19.85 51.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.562 1.145 . . . . 1.0 113.953 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -158.73 146.56 13.56 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.523 1.529 . . . . 1.0 111.513 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.6 -29.91 26.64 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.865 3.043 . . . . 1.0 114.647 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.83 -37.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.213 1.005 . . . . 1.0 111.236 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.4 t -72.97 -41.04 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.0 0.92 . . . . 1.0 109.871 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.93 67.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.709 0.804 . . . . 1.0 112.238 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.85 -41.61 98.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.529 -0.732 . . . . 1.0 112.009 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.8 m -59.76 -38.3 81.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.015 0.926 . . . . 1.0 111.945 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -68.24 -49.83 58.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.692 0.797 . . . . 1.0 110.859 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -58.94 -38.61 79.4 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.57 -8.81 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.63 162.24 23.26 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.834 1.206 . . . . 1.0 114.32 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.03 -30.37 66.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.64 1.176 . . . . 1.0 113.541 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.3 m -53.91 -44.45 70.57 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.916 1.286 . . . . 1.0 112.544 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.62 -45.13 65.8 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.019 0.528 . . . . 1.0 111.513 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.82 -34.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.04 1.336 . . . . 1.0 112.051 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.99 -38.4 73.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.277 1.031 . . . . 1.0 110.969 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 117.789 -1.101 . . . . 1.0 111.752 175.02 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 N-CA-C 112.535 -0.226 . . . . 1.0 112.535 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.83 -37.4 68.66 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.969 1.1 . . . . 1.0 113.969 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.85 -46.31 84.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.284 0.634 . . . . 1.0 111.684 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 119.066 -0.492 . . . . 1.0 111.935 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.1 -42.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.356 0.98 . . . . 1.0 110.279 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -58.47 -46.88 85.72 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.578 0.751 . . . . 1.0 111.153 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m -63.63 -38.67 91.99 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.147 0.579 . . . . 1.0 112.03 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.46 -44.95 95.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.782 0.833 . . . . 1.0 111.096 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.38 -43.28 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.902 0.881 . . . . 1.0 109.778 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -57.8 -47.6 82.12 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.226 0.921 . . . . 1.0 112.093 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -73.57 -14.18 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.57 1.148 . . . . 1.0 113.818 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -132.67 30.56 4.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.034 1.334 . . . . 1.0 112.445 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -54.49 -21.16 9.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.81 -12.21 60.13 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.591 1.956 . . . . 1.0 113.705 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.9 pt -138.37 -20.29 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.842 1.657 . . . . 1.0 114.963 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -119.85 153.13 36.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.954 1.701 . . . . 1.0 109.876 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -155.35 171.55 19.69 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.447 1.099 . . . . 1.0 112.159 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -59.67 -18.45 42.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.681 1.192 . . . . 1.0 114.075 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -133.81 1.72 3.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.116 1.895 . . . . 1.0 116.116 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -162.38 144.86 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.827 1.649 . . . . 1.0 113.714 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -117.13 114.7 24.07 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.298 1.439 . . . . 1.0 109.137 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -78.96 -27.54 43.52 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.1 -40.7 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.317 0.962 . . . . 1.0 110.966 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' SG ' ' HE3' ' A' ' 61' ' ' LYS . 62.0 m -99.38 6.4 46.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.34 1.456 . . . . 1.0 112.15 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 m 37.47 56.87 1.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.555 2.742 . . . . 1.0 113.467 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.96 145.27 43.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.278 1.031 . . . . 1.0 113.606 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.53 147.68 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.031 1.332 . . . . 1.0 109.13 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -125.69 73.11 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.868 2.067 . . . . 1.0 109.295 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 pt -55.79 -14.32 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 116.873 2.175 . . . . 1.0 116.873 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -152.46 158.54 42.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.966 1.306 . . . . 1.0 111.127 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.99 -37.48 71.71 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.784 0.833 . . . . 1.0 112.441 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.5 p -59.94 -37.67 80.2 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 1.0 112.516 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.35 -44.99 67.0 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.393 0.677 . . . . 1.0 109.716 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.98 -47.44 85.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.64 0.776 . . . . 1.0 111.294 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.08 -54.76 42.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.043 0.937 . . . . 1.0 110.812 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.68 91.61 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.206 0.817 . . . . 1.0 113.206 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -66.49 -51.36 57.58 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.459 0.572 . . . . 1.0 112.206 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -69.5 -31.18 69.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.431 0.9 . . . . 1.0 113.431 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -73.86 -29.11 61.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.755 0.822 . . . . 1.0 112.411 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 t -57.49 138.83 54.68 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.546 1.684 . . . . 1.0 115.546 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -27.86 68.18 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.517 1.127 . . . . 1.0 111.726 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.97 -40.19 83.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.816 1.246 . . . . 1.0 111.207 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.35 -48.75 78.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.591 0.756 . . . . 1.0 108.97 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.93 76.02 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.579 0.585 . . . . 1.0 112.579 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -62.83 -47.18 84.51 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.391 -0.818 . . . . 1.0 111.182 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HE3' ' SG ' ' A' ' 39' ' ' CYS . 46.7 mtmt -62.6 -40.54 97.27 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.366 0.666 . . . . 1.0 111.353 176.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.477 0.886 0 C-N-CA 123.798 0.839 . . . . 1.0 111.45 176.118 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -136.77 -7.33 1.89 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.846 1.425 . . . . 1.0 114.846 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.8 t -149.95 155.54 40.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 1.0 112.212 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.8 t -139.55 89.18 12.03 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 1.0 110.012 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.48 -25.97 76.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.348 2.699 . . . . 1.0 114.219 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.47 -26.06 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.922 1.289 . . . . 1.0 111.945 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 85.5 m -122.42 -9.92 8.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.023 1.729 . . . . 1.0 113.483 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 55.9 56.19 6.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.913 2.885 . . . . 1.0 112.501 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -135.93 166.55 23.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.887 1.675 . . . . 1.0 111.886 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -127.26 157.94 38.51 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.574 1.55 . . . . 1.0 113.069 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -131.45 147.46 52.55 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.635 1.974 . . . . 1.0 112.08 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -71.68 -39.17 70.42 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -142.28 158.14 61.7 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.296 1.439 . . . . 1.0 113.363 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.06 -36.88 93.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.902 3.068 . . . . 1.0 115.01 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.21 -32.98 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 119.543 1.065 . . . . 1.0 111.549 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.91 -40.84 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.499 -0.751 . . . . 1.0 109.349 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.93 -47.54 84.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.18 0.592 . . . . 1.0 110.99 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -59.36 -43.29 92.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.296 -0.877 . . . . 1.0 111.473 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.6 m -60.44 -36.73 78.9 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.091 0.956 . . . . 1.0 111.899 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -70.91 -50.35 35.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.064 0.546 . . . . 1.0 111.286 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -56.17 -36.07 67.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -85.53 -7.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.65 158.76 29.97 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.68 1.133 . . . . 1.0 114.271 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.16 -32.64 70.08 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.14 0.976 . . . . 1.0 113.596 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.0 m -56.29 -42.01 76.82 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.346 1.058 . . . . 1.0 111.883 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -68.33 -46.14 71.01 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.432 0.693 . . . . 1.0 111.118 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.89 -43.85 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.077 1.351 . . . . 1.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -60.5 -42.02 95.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.116 0.966 . . . . 1.0 110.973 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 117.952 -1.023 . . . . 1.0 113.025 176.734 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 CA-C-O 122.159 0.866 . . . . 1.0 115.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -56.7 -35.73 68.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.36 1.464 . . . . 1.0 113.432 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.53 -47.05 80.27 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.687 0.795 . . . . 1.0 111.734 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.75 98.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.101 0.561 . . . . 1.0 111.334 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.04 -44.39 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.256 0.622 . . . . 1.0 110.912 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -60.15 -41.02 91.86 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.404 -0.81 . . . . 1.0 112.411 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -42.9 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.415 0.552 . . . . 1.0 111.278 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.82 -44.28 90.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.575 1.15 . . . . 1.0 112.137 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.45 -44.9 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.925 0.89 . . . . 1.0 110.305 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -65.47 -43.25 90.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.093 0.957 . . . . 1.0 113.362 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.27 -15.01 62.85 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.147 0.979 . . . . 1.0 113.563 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -134.28 38.02 3.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.09 1.356 . . . . 1.0 112.795 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -51.13 -27.49 8.61 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.57 1.322 . . . . 1.0 114.57 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -65.08 -20.05 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.813 1.645 . . . . 1.0 113.871 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.1 pt -131.3 -18.33 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.206 1.558 . . . . 1.0 115.206 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -124.29 151.6 44.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.559 1.144 . . . . 1.0 110.826 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -152.29 166.63 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.268 1.027 . . . . 1.0 111.301 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -52.93 -19.05 2.29 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.2 p -138.3 11.29 2.79 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -163.46 142.62 8.28 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.875 1.67 . . . . 1.0 114.262 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -117.51 118.03 31.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.737 1.615 . . . . 1.0 110.599 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -76.26 -40.05 52.85 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.773 1.027 . . . . 1.0 113.773 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.27 -38.13 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 1.0 111.803 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.29 4.13 43.92 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.595 1.158 . . . . 1.0 111.861 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 37.38 58.52 1.26 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.895 2.878 . . . . 1.0 113.229 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.14 148.27 46.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.726 1.21 . . . . 1.0 113.168 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.43 145.46 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.894 1.278 . . . . 1.0 108.811 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -123.7 75.03 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.309 2.244 . . . . 1.0 108.906 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 pt -65.36 1.79 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 127.141 2.176 . . . . 1.0 116.186 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -155.5 148.79 24.82 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.346 1.458 . . . . 1.0 110.575 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.84 -39.21 91.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.085 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 p -62.5 -37.87 87.71 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.05 1.295 . . . . 1.0 111.839 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -66.86 -42.48 85.59 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.978 0.911 . . . . 1.0 110.38 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -61.88 -47.8 83.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 1.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.656 0.782 . . . . 1.0 111.702 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -42.52 82.12 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.691 0.678 . . . . 1.0 111.929 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -63.93 -51.47 64.31 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.808 -0.557 . . . . 1.0 111.968 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -64.48 -18.97 65.27 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.278 1.214 . . . . 1.0 114.278 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -99.99 -8.06 24.36 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.546 1.138 . . . . 1.0 113.115 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.09 142.51 56.62 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.358 1.063 . . . . 1.0 113.785 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.79 -37.28 81.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.981 1.312 . . . . 1.0 111.594 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.92 -45.1 78.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.088 0.955 . . . . 1.0 110.944 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -59.81 -49.12 78.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.707 0.803 . . . . 1.0 110.719 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.66 85.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.028 0.531 . . . . 1.0 112.363 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.93 -47.22 81.36 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.621 -0.674 . . . . 1.0 111.926 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.72 -43.76 98.24 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.735 0.698 . . . . 1.0 111.483 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 123.633 0.773 . . . . 1.0 112.38 179.289 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 117.151 2.278 . . . . 1.0 117.151 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -131.76 -22.82 2.34 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.609 1.707 . . . . 1.0 115.609 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.59 170.2 19.72 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.244 1.018 . . . . 1.0 113.342 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 41.1 t -145.55 98.87 4.52 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.993 1.717 . . . . 1.0 109.136 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.72 -24.81 24.85 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.551 2.167 . . . . 1.0 113.352 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.75 -37.88 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.338 1.055 . . . . 1.0 110.935 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 -5.74 17.97 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.693 1.597 . . . . 1.0 113.722 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.0 t30 54.68 61.73 2.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 129.268 3.027 . . . . 1.0 113.514 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.4 mtm -138.61 168.04 20.65 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.008 1.323 . . . . 1.0 113.458 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 p -131.71 153.88 49.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.88 2.072 . . . . 1.0 110.997 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.089 1.356 . . . . 1.0 112.59 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.2 p -79.89 -15.57 57.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.882 1.438 . . . . 1.0 114.882 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 162.44 27.51 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 124.601 1.161 . . . . 1.0 112.142 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.09 -28.57 65.49 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.467 2.112 . . . . 1.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.88 -39.24 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.08 0.854 . . . . 1.0 110.11 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.19 -41.06 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.83 66.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.402 0.681 . . . . 1.0 111.176 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.458 0.703 . . . . 1.0 111.994 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.4 m -59.46 -35.98 75.11 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.984 0.811 . . . . 1.0 111.663 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -74.85 -50.58 16.55 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.476 -0.765 . . . . 1.0 111.433 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.94 -41.05 90.98 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.831 1.419 . . . . 1.0 114.831 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.72 -15.71 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.022 0.828 . . . . 1.0 113.23 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.24 154.83 43.22 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.747 0.689 . . . . 1.0 113.53 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -60.02 -26.8 66.37 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.717 0.807 . . . . 1.0 112.586 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -56.86 -43.17 80.93 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.463 1.505 . . . . 1.0 112.345 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.5 -42.43 78.62 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.538 -0.726 . . . . 1.0 110.842 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.77 -41.58 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.467 1.107 . . . . 1.0 111.43 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.93 -36.73 80.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.884 0.874 . . . . 1.0 111.511 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 118.644 -0.693 . . . . 1.0 112.09 175.436 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 CA-C-O 120.425 -0.097 . . . . 1.0 112.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -55.84 -40.2 72.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.801 1.037 . . . . 1.0 113.801 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.97 -44.19 91.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.569 0.622 . . . . 1.0 111.459 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.58 75.09 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.401 0.681 . . . . 1.0 111.714 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.34 -46.38 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.475 1.034 . . . . 1.0 110.622 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.25 -40.68 96.99 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.545 -0.722 . . . . 1.0 111.059 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -65.03 -44.13 90.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.246 0.618 . . . . 1.0 111.534 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.63 -42.56 97.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.174 1.39 . . . . 1.0 111.139 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.93 -49.19 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.246 1.018 . . . . 1.0 109.944 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -59.56 -45.97 90.26 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.924 0.89 . . . . 1.0 113.022 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.15 -16.38 63.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.671 1.188 . . . . 1.0 113.908 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -130.19 31.41 4.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.554 1.541 . . . . 1.0 111.677 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.32 -14.35 1.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.389 1.996 . . . . 1.0 116.389 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -81.82 -14.9 55.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.078 1.751 . . . . 1.0 113.533 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.6 pt -135.77 -21.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.666 1.586 . . . . 1.0 114.776 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -119.96 147.68 44.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.939 1.696 . . . . 1.0 108.849 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -151.61 168.52 24.71 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.961 0.904 . . . . 1.0 112.453 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.34 -19.69 62.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.277 1.431 . . . . 1.0 114.112 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.3 p -132.08 1.78 3.91 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.426 1.639 . . . . 1.0 115.426 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -162.49 147.07 12.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.018 1.281 . . . . 1.0 112.573 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.06 114.71 24.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -77.34 -33.56 55.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.59 -39.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.861 0.755 . . . . 1.0 110.996 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.91 -1.16 53.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.029 1.332 . . . . 1.0 112.654 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.4 m 40.42 55.53 2.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.817 2.447 . . . . 1.0 112.607 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.39 143.4 43.98 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.904 1.281 . . . . 1.0 112.631 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.8 t -87.97 146.36 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.752 1.221 . . . . 1.0 109.913 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.02 73.93 1.0 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.148 2.179 . . . . 1.0 108.275 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 pt -52.37 -17.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 117.075 2.25 . . . . 1.0 117.075 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t -154.92 161.45 41.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.371 1.468 . . . . 1.0 110.469 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.3 -39.03 74.91 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.539 -0.726 . . . . 1.0 111.855 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -59.01 -42.86 91.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.626 1.103 . . . . 1.0 112.18 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.86 -41.9 95.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.372 1.069 . . . . 1.0 110.72 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -61.86 -47.62 84.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.91 0.884 . . . . 1.0 111.024 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.69 -42.43 98.92 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.54 1.136 . . . . 1.0 111.339 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.358 0.527 . . . . 1.0 112.323 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -61.64 -51.51 68.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.806 0.669 . . . . 1.0 112.806 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.68 -22.87 66.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.709 1.003 . . . . 1.0 113.709 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -92.38 -13.59 29.91 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.354 1.062 . . . . 1.0 113.495 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 144.31 53.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.379 1.072 . . . . 1.0 113.462 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -60.05 -28.08 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.481 1.112 . . . . 1.0 112.422 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.14 -38.95 84.65 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.611 1.164 . . . . 1.0 111.533 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -65.42 -44.99 85.65 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.837 0.855 . . . . 1.0 110.897 176.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.24 91.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.828 0.74 . . . . 1.0 112.156 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -61.21 -46.84 88.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.623 -0.673 . . . . 1.0 111.508 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -62.68 -42.95 99.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.917 0.887 . . . . 1.0 111.746 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.67 175.767 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.772 0.796 . . . . 1.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -137.16 -18.91 1.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.087 1.755 . . . . 1.0 114.777 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 42.2 t -143.67 158.85 43.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.287 1.435 . . . . 1.0 111.932 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.7 t -141.59 88.4 9.73 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 125.385 1.474 . . . . 1.0 110.636 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.35 -27.58 85.36 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.574 2.849 . . . . 1.0 114.255 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.8 t -59.02 -33.92 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.656 1.182 . . . . 1.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.5 m -112.18 -8.71 13.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.463 1.505 . . . . 1.0 113.507 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.78 56.84 5.14 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 128.853 2.861 . . . . 1.0 112.319 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -136.92 167.57 21.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.494 1.518 . . . . 1.0 112.47 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -131.68 162.39 30.54 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.237 1.815 . . . . 1.0 110.971 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.14 146.83 52.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.338 1.055 . . . . 1.0 112.641 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -81.41 -11.71 59.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.156 1.382 . . . . 1.0 114.315 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 t -154.09 146.19 17.16 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 125.374 1.47 . . . . 1.0 111.471 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.6 -23.6 70.16 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.771 2.314 . . . . 1.0 112.504 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.29 -38.43 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.836 0.854 . . . . 1.0 110.37 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.04 -42.98 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.772 0.829 . . . . 1.0 109.786 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.34 59.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.068 0.947 . . . . 1.0 112.538 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -39.54 90.64 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.544 -0.723 . . . . 1.0 112.502 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.4 m -64.36 -40.12 95.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.683 0.793 . . . . 1.0 111.504 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.78 -47.89 81.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.477 0.711 . . . . 1.0 111.832 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.72 -16.17 5.91 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.36 2.78 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.209 1.404 . . . . 1.0 113.226 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.62 158.13 26.02 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.735 1.16 . . . . 1.0 112.897 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.62 -30.03 69.59 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 1.0 113.889 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.4 m -56.65 -40.85 76.18 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.055 0.942 . . . . 1.0 111.494 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -70.08 -44.2 69.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.751 0.82 . . . . 1.0 110.725 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.84 -40.17 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.842 1.257 . . . . 1.0 112.052 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.77 -34.61 73.22 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.158 -0.964 . . . . 1.0 111.339 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 118.54 -0.743 . . . . 1.0 111.932 174.803 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 CA-C-O 120.802 0.112 . . . . 1.0 113.248 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -59.41 -43.71 92.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.296 1.038 . . . . 1.0 112.331 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.07 -40.66 91.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.688 1.195 . . . . 1.0 112.225 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.85 92.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.76 0.424 . . . . 1.0 111.362 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.34 -43.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.351 0.523 . . . . 1.0 110.835 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.81 -46.29 87.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.576 -0.702 . . . . 1.0 111.429 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -65.39 -40.44 93.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.448 0.699 . . . . 1.0 111.808 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.63 -41.4 97.43 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.217 -0.927 . . . . 1.0 111.797 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.93 -44.72 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.966 0.906 . . . . 1.0 109.619 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -59.44 -42.46 91.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.939 1.295 . . . . 1.0 112.469 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.23 -18.52 61.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.464 1.105 . . . . 1.0 113.626 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -133.67 35.62 3.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.842 1.257 . . . . 1.0 113.377 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -57.42 -13.43 3.51 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.467 1.654 . . . . 1.0 115.467 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -78.37 -19.27 53.73 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.527 1.531 . . . . 1.0 113.175 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.1 pt -131.24 -19.81 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.59 1.556 . . . . 1.0 114.914 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -120.82 151.38 39.68 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.457 1.503 . . . . 1.0 109.189 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -155.27 170.88 20.84 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.057 0.943 . . . . 1.0 112.073 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.58 -19.09 56.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.695 1.198 . . . . 1.0 114.146 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -134.67 2.16 3.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.07 145.98 12.22 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.782 1.628 . . . . 1.0 113.566 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.24 116.09 26.57 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.362 1.465 . . . . 1.0 109.201 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.96 -36.54 64.6 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.22 -40.82 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.763 0.825 . . . . 1.0 111.347 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -100.26 4.81 44.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.154 1.382 . . . . 1.0 112.395 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t 36.3 55.54 1.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.805 2.842 . . . . 1.0 112.995 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.04 145.12 43.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.808 1.243 . . . . 1.0 113.137 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.3 t -87.85 147.79 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.002 1.321 . . . . 1.0 109.611 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.15 75.96 1.27 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.46 2.304 . . . . 1.0 108.766 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 pt -54.52 -16.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 117.092 2.256 . . . . 1.0 117.092 -174.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 t -154.84 159.9 40.87 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.083 1.353 . . . . 1.0 110.925 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.13 -36.83 73.52 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.848 0.859 . . . . 1.0 112.58 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 p -61.97 -40.78 96.77 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.454 1.024 . . . . 1.0 111.907 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.84 -42.39 81.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 1.0 110.485 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -59.86 -47.59 85.12 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.728 0.695 . . . . 1.0 110.925 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.9 -51.52 68.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.42 1.088 . . . . 1.0 110.878 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.18 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.8 0.666 . . . . 1.0 112.8 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -67.45 -51.43 51.64 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.784 -0.573 . . . . 1.0 112.131 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -67.34 -27.47 67.16 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.607 0.965 . . . . 1.0 113.607 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.54 -9.3 56.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.797 0.839 . . . . 1.0 113.138 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 139.66 58.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.896 1.072 . . . . 1.0 113.896 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.81 -31.63 72.87 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.6 1.16 . . . . 1.0 111.647 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.95 -45.09 78.84 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.111 . . . . 1.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.99 -49.22 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.66 0.784 . . . . 1.0 110.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.61 86.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.308 0.485 . . . . 1.0 112.308 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -64.4 -39.74 94.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.667 -0.646 . . . . 1.0 112.549 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -69.33 -41.75 76.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.1 0.864 . . . . 1.0 111.276 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 124.216 1.007 . . . . 1.0 111.144 176.194 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 112.055 0.391 . . . . 1.0 112.055 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -118.35 -20.03 8.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.9 1.68 . . . . 1.0 113.4 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 p -137.54 166.24 24.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.5 1.52 . . . . 1.0 113.464 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -146.06 89.66 5.98 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 125.845 1.658 . . . . 1.0 110.038 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -68.26 -20.96 42.39 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.766 2.311 . . . . 1.0 113.18 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -29.09 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.591 1.556 . . . . 1.0 111.596 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.8 m -123.75 -6.7 7.97 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.395 1.878 . . . . 1.0 114.348 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 56.6 57.44 4.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.844 2.858 . . . . 1.0 112.778 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.1 mtm -138.04 171.26 14.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.542 1.537 . . . . 1.0 112.757 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 p -131.95 163.89 27.35 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.254 1.822 . . . . 1.0 112.173 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.21 147.18 52.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.738 1.215 . . . . 1.0 113.164 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.9 p -79.19 -16.69 56.2 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.104 1.362 . . . . 1.0 114.453 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 t -155.75 145.15 15.24 Favored Pre-proline 0 N--CA 1.471 0.602 0 C-N-CA 125.225 1.41 . . . . 1.0 111.517 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.35 -34.58 50.7 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.676 2.918 . . . . 1.0 114.376 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.94 -38.1 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.587 -0.695 . . . . 1.0 111.279 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.62 -39.81 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.627 0.771 . . . . 1.0 109.872 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.81 79.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.318 0.647 . . . . 1.0 111.095 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.7 -43.14 89.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.016 0.526 . . . . 1.0 111.96 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.0 m -65.17 -39.53 93.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.296 0.638 . . . . 1.0 111.885 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -63.63 -47.87 79.6 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.573 -0.704 . . . . 1.0 111.746 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.11 -15.01 4.53 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.49 1.92 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.094 1.358 . . . . 1.0 113.415 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.68 153.61 24.12 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.522 1.058 . . . . 1.0 112.508 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -58.01 -29.66 65.47 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.625 1.343 . . . . 1.0 114.625 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.5 m -58.75 -44.13 90.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.822 0.849 . . . . 1.0 110.845 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -70.48 -43.58 69.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.787 0.835 . . . . 1.0 111.52 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.6 -37.73 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.675 1.19 . . . . 1.0 111.817 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -57.84 -43.52 85.91 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.578 -0.702 . . . . 1.0 110.132 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 117.666 -1.159 . . . . 1.0 112.845 176.818 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 N-CA-C 112.346 -0.302 . . . . 1.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -55.95 -37.03 68.45 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.05 -44.64 91.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.744 0.702 . . . . 1.0 111.861 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.85 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 1.0 111.591 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.39 -46.28 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.989 0.813 . . . . 1.0 110.766 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -61.22 -44.42 97.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.377 0.671 . . . . 1.0 111.038 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -65.96 -39.33 90.33 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.651 0.66 . . . . 1.0 112.423 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.51 -43.09 97.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.239 0.927 . . . . 1.0 110.786 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.86 -50.11 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.372 1.069 . . . . 1.0 110.067 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.794 1.637 . . . . 1.0 113.111 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -74.91 -15.72 60.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.679 1.192 . . . . 1.0 113.757 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -134.41 41.98 2.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.916 1.287 . . . . 1.0 112.806 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -54.69 -18.85 5.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.186 1.55 . . . . 1.0 115.186 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -75.02 -20.31 59.67 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 1.0 113.821 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.7 pt -130.09 -16.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 115.024 1.49 . . . . 1.0 115.024 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -129.84 148.91 51.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.081 1.352 . . . . 1.0 110.64 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 p -149.71 170.12 19.45 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.941 1.297 . . . . 1.0 110.671 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.61 -10.28 25.34 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.179 0.807 . . . . 1.0 113.179 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.0 p -131.71 -1.86 3.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 115.637 1.718 . . . . 1.0 115.637 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -161.97 146.43 12.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.831 1.651 . . . . 1.0 113.604 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -117.43 114.87 24.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.075 1.35 . . . . 1.0 108.809 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -74.79 -36.28 62.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.397 0.888 . . . . 1.0 113.397 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.45 -37.03 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.786 0.834 . . . . 1.0 111.478 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -104.0 8.18 36.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.532 1.533 . . . . 1.0 112.317 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 33.75 55.76 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.961 2.904 . . . . 1.0 114.018 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.08 144.36 43.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.604 1.162 . . . . 1.0 113.161 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.02 148.57 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.111 1.364 . . . . 1.0 109.674 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.67 74.86 1.51 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.551 2.34 . . . . 1.0 108.923 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -15.1 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 117.17 2.285 . . . . 1.0 117.17 -174.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 m -155.66 158.12 37.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.472 1.509 . . . . 1.0 111.212 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -56.75 -36.31 69.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.181 0.992 . . . . 1.0 113.124 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -61.74 -41.15 97.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.015 1.28 . . . . 1.0 112.212 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -68.53 -40.06 80.92 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.564 -0.71 . . . . 1.0 110.402 174.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.76 -47.77 84.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.623 0.647 . . . . 1.0 110.563 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.19 -41.7 97.28 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.305 1.042 . . . . 1.0 111.892 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.77 74.49 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.606 0.639 . . . . 1.0 112.0 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.74 -51.37 62.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.196 0.598 . . . . 1.0 112.199 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.85 -18.75 65.55 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.191 1.182 . . . . 1.0 114.191 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -98.28 -11.9 22.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.28 1.032 . . . . 1.0 112.85 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 t -59.82 136.54 58.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.039 0.936 . . . . 1.0 111.977 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -63.97 -29.97 71.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.356 0.663 . . . . 1.0 112.217 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.83 -45.53 74.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.076 0.95 . . . . 1.0 110.254 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -61.98 -49.21 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.012 0.925 . . . . 1.0 110.273 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.33 79.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.925 0.89 . . . . 1.0 112.304 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.72 -45.48 89.78 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.778 -0.576 . . . . 1.0 111.583 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.07 -43.69 91.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.519 0.728 . . . . 1.0 111.888 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 123.625 0.77 . . . . 1.0 110.826 176.097 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.425 ' N ' ' HH ' ' A' ' 114' ' ' TYR . 23.0 m . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -136.39 -21.55 1.35 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.519 1.927 . . . . 1.0 113.238 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.6 p -149.3 172.42 14.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.199 . . . . 1.0 112.152 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.1 t -145.39 93.84 5.31 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.229 1.411 . . . . 1.0 110.036 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.45 -22.03 45.87 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.529 2.153 . . . . 1.0 113.439 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.0 -31.45 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.381 1.073 . . . . 1.0 111.255 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.2 m -112.33 -10.22 13.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.976 1.71 . . . . 1.0 113.561 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.3 t30 57.18 58.3 4.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.712 2.805 . . . . 1.0 112.545 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.4 mtm -136.87 168.07 20.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.346 1.458 . . . . 1.0 113.066 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -130.96 156.4 45.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.637 1.975 . . . . 1.0 111.435 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.31 147.07 52.54 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.94 1.296 . . . . 1.0 112.541 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 p -77.59 -17.37 57.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.525 1.306 . . . . 1.0 114.525 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -159.29 148.47 14.43 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.026 1.33 . . . . 1.0 112.13 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.54 -30.73 36.88 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.583 2.855 . . . . 1.0 113.827 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -39.14 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.275 1.03 . . . . 1.0 111.054 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.64 -41.19 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.007 0.923 . . . . 1.0 109.679 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.22 -50.93 71.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.588 0.755 . . . . 1.0 112.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.95 -40.74 98.57 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.337 -0.852 . . . . 1.0 112.072 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.7 m -59.94 -37.85 80.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.689 0.796 . . . . 1.0 111.357 176.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -68.56 -49.77 56.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.294 0.638 . . . . 1.0 110.945 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HH ' ' N ' ' A' ' 94' ' ' SER . 20.9 m-85 -55.01 -35.69 64.66 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.731 1.011 . . . . 1.0 113.731 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.82 -5.77 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 113.849 1.055 . . . . 1.0 113.849 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.38 159.34 27.23 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.588 1.089 . . . . 1.0 113.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -61.99 -24.94 67.34 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.182 1.178 . . . . 1.0 114.182 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -58.17 -41.13 83.2 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.11 0.868 . . . . 1.0 110.971 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -70.11 -46.15 65.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.283 0.633 . . . . 1.0 110.91 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.74 -39.34 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.077 1.351 . . . . 1.0 112.271 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.91 -39.97 79.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.821 0.849 . . . . 1.0 110.729 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 118.308 -0.853 . . . . 1.0 112.225 175.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.407 0 N-CA-C 114.588 0.595 . . . . 1.0 114.588 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -55.9 -43.37 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.32 -47.07 84.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.023 0.929 . . . . 1.0 112.32 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.12 78.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 122.048 -0.407 . . . . 1.0 111.807 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.27 -46.15 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.881 0.764 . . . . 1.0 110.674 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.33 -40.95 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.428 -0.795 . . . . 1.0 111.215 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -65.05 -44.14 90.03 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.177 0.591 . . . . 1.0 111.389 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.73 -42.18 96.8 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.908 1.283 . . . . 1.0 111.332 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.3 -50.2 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.266 1.026 . . . . 1.0 109.751 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -61.53 -41.63 97.63 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.52 0.933 . . . . 1.0 113.52 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.78 -14.83 62.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.13 0.972 . . . . 1.0 113.444 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.1 38.0 3.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.293 1.437 . . . . 1.0 112.113 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -52.7 -20.54 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -74.4 -19.79 60.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.781 1.632 . . . . 1.0 113.792 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 pt -132.61 -18.5 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -125.62 142.76 51.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.133 1.373 . . . . 1.0 109.575 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 p -147.75 171.99 14.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.918 1.287 . . . . 1.0 110.946 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.06 -10.82 33.12 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.4 p -131.89 -3.02 3.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.629 1.714 . . . . 1.0 115.629 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -160.84 145.8 14.19 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.877 1.671 . . . . 1.0 113.877 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.53 114.33 23.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.029 1.332 . . . . 1.0 108.491 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.9 -33.49 57.79 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.495 0.924 . . . . 1.0 113.495 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.62 -29.86 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.079 0.952 . . . . 1.0 111.407 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -112.58 8.53 19.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.122 1.769 . . . . 1.0 112.584 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m 35.13 54.49 0.75 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.67 2.788 . . . . 1.0 113.681 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.02 145.07 43.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.485 1.114 . . . . 1.0 113.584 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -87.96 147.6 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.144 1.378 . . . . 1.0 109.546 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.9 mt -121.33 76.91 1.28 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.365 2.266 . . . . 1.0 108.724 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 pt -53.02 -17.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 117.246 2.313 . . . . 1.0 117.246 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 t -156.88 162.49 39.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.311 1.445 . . . . 1.0 110.616 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -58.35 -35.84 72.55 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.419 -0.801 . . . . 1.0 111.896 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 p -60.79 -43.06 98.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.217 . . . . 1.0 111.909 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -65.41 -42.27 92.72 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.347 1.059 . . . . 1.0 110.755 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -61.11 -47.81 84.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.49 0.716 . . . . 1.0 110.797 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.07 -42.18 98.93 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.693 1.197 . . . . 1.0 111.654 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -43.29 71.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.524 0.602 . . . . 1.0 112.069 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.86 -51.43 64.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.938 0.79 . . . . 1.0 111.659 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -64.14 -17.84 63.86 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.238 1.199 . . . . 1.0 114.238 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -105.5 -2.62 23.42 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.899 1.279 . . . . 1.0 113.161 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.8 t -72.85 142.08 47.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.518 1.127 . . . . 1.0 113.795 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.179 -0.95 . . . . 1.0 112.036 174.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.99 -35.78 77.09 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.701 1.2 . . . . 1.0 111.207 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -70.27 -40.63 74.22 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 1.0 109.736 173.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.26 82.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.945 0.72 . . . . 1.0 112.945 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -62.66 -32.16 73.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.245 -0.909 . . . . 1.0 112.602 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -74.5 -38.98 62.69 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.678 -0.639 . . . . 1.0 111.127 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 123.592 0.757 . . . . 1.0 110.628 172.66 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 118.539 2.792 . . . . 1.0 118.539 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -130.5 -21.25 2.85 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.193 2.294 . . . . 1.0 117.193 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -144.13 163.26 34.09 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.377 1.444 . . . . 1.0 113.996 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 t -144.26 91.35 6.42 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 126.109 1.764 . . . . 1.0 110.415 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.69 -20.05 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.946 2.431 . . . . 1.0 113.635 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.03 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.771 0.829 . . . . 1.0 110.27 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 78.3 m -98.05 -10.37 24.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.158 1.383 . . . . 1.0 113.578 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 21.0 m120 60.87 55.24 3.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.877 2.471 . . . . 1.0 111.635 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.4 mtm -135.55 168.18 19.72 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.133 1.373 . . . . 1.0 113.41 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.92 163.19 28.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.039 2.136 . . . . 1.0 110.174 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -130.97 145.67 52.12 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.09 0.774 . . . . 1.0 113.09 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -76.46 -18.89 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.095 1.358 . . . . 1.0 114.565 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -155.82 148.43 17.87 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 125.072 1.349 . . . . 1.0 112.001 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -50.67 -34.01 42.01 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.762 2.975 . . . . 1.0 113.757 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.47 -44.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.357 1.063 . . . . 1.0 110.773 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.83 -41.49 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.677 0.791 . . . . 1.0 110.348 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.66 54.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.161 0.584 . . . . 1.0 112.228 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.61 -42.76 99.33 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.314 -0.866 . . . . 1.0 112.321 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 m -59.75 -36.33 76.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.535 0.734 . . . . 1.0 112.12 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.81 -50.16 63.48 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.664 0.666 . . . . 1.0 111.054 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.95 -36.27 76.74 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.954 1.094 . . . . 1.0 113.954 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -85.52 -9.05 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.354 0.872 . . . . 1.0 113.354 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.93 159.4 23.68 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.82 1.2 . . . . 1.0 113.717 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -16.97 63.53 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 m -58.48 -39.92 81.29 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.335 1.054 . . . . 1.0 111.186 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.64 -44.48 74.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.286 0.634 . . . . 1.0 110.404 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.85 -38.74 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.236 1.414 . . . . 1.0 112.293 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.32 -39.47 75.91 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.09 0.859 . . . . 1.0 110.646 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 118.279 -0.867 . . . . 1.0 111.326 175.586 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 113.175 0.03 . . . . 1.0 113.175 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.03 -43.13 81.6 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.648 0.779 . . . . 1.0 113.027 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -60.52 -43.02 97.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.002 0.921 . . . . 1.0 111.939 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.32 85.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.968 0.507 . . . . 1.0 111.35 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.74 -46.04 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.513 0.597 . . . . 1.0 110.66 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.43 -43.56 96.67 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.553 -0.717 . . . . 1.0 111.495 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -64.24 -44.32 92.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.303 0.641 . . . . 1.0 111.511 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.52 -43.28 93.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.81 1.244 . . . . 1.0 111.533 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.19 -50.06 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.024 0.93 . . . . 1.0 110.021 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -60.7 -42.32 96.95 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.785 1.031 . . . . 1.0 113.785 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.59 -12.93 60.31 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.554 0.946 . . . . 1.0 113.554 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -128.18 35.72 4.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.413 1.485 . . . . 1.0 111.856 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -54.07 -18.22 3.44 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.439 1.644 . . . . 1.0 115.439 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -75.38 -16.05 60.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.709 1.604 . . . . 1.0 113.685 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.2 pt -136.5 -22.13 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.316 1.446 . . . . 1.0 114.812 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -119.84 154.74 33.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.495 1.518 . . . . 1.0 109.724 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.9 p -156.19 170.22 22.73 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.779 0.831 . . . . 1.0 111.585 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.85 -18.97 59.0 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.787 1.032 . . . . 1.0 113.787 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -135.81 6.01 3.15 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.038 1.866 . . . . 1.0 116.038 -176.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -162.03 144.62 11.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.602 1.546 . . . . 1.0 113.25 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -117.54 115.0 24.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.013 1.325 . . . . 1.0 109.685 172.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -77.14 -32.09 56.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.64 -35.92 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 123.811 0.844 . . . . 1.0 111.752 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -105.48 7.3 32.99 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.592 1.557 . . . . 1.0 112.219 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m 36.43 54.01 1.04 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.88 2.872 . . . . 1.0 113.717 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.28 148.98 46.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.461 1.104 . . . . 1.0 113.671 -176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.48 147.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.088 1.355 . . . . 1.0 109.405 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -126.09 73.54 1.37 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.257 2.223 . . . . 1.0 108.446 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -52.85 -14.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 117.214 2.301 . . . . 1.0 117.214 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -153.74 159.46 41.97 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.105 1.362 . . . . 1.0 110.933 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.81 -36.58 70.09 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.684 0.794 . . . . 1.0 111.583 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -59.05 -37.95 78.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.698 1.135 . . . . 1.0 112.799 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -70.85 -44.91 65.46 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.506 0.722 . . . . 1.0 109.875 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.71 -47.22 85.33 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.03 0.932 . . . . 1.0 111.099 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.99 -44.98 96.61 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.617 1.167 . . . . 1.0 111.724 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.45 80.07 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.082 0.855 . . . . 1.0 112.122 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -64.57 -51.3 63.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.716 0.807 . . . . 1.0 112.693 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.2 -21.67 62.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.341 1.237 . . . . 1.0 114.341 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -91.24 -12.53 34.95 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.355 0.98 . . . . 1.0 112.962 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.9 t -77.53 130.62 37.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.113 0.965 . . . . 1.0 111.624 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -54.95 -26.98 40.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.28 -36.25 75.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.091 0.956 . . . . 1.0 111.485 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.98 -49.21 73.4 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.4 0.68 . . . . 1.0 110.696 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.85 85.94 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.93 -0.481 . . . . 1.0 111.934 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -57.71 -47.05 83.49 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.935 -0.478 . . . . 1.0 111.383 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.81 -34.34 77.61 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.062 -0.97 . . . . 1.0 112.44 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-N 119.655 1.116 . . . . 1.0 111.2 176.355 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.6 p . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 113.248 0.833 . . . . 1.0 113.248 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -121.08 -10.28 9.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.754 2.022 . . . . 1.0 111.519 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.1 t -146.16 162.03 38.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.607 1.563 . . . . 1.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.4 t -142.42 95.82 6.49 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 127.104 2.162 . . . . 1.0 109.176 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.36 -22.0 29.92 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.691 2.261 . . . . 1.0 113.58 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.06 -23.48 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 1.0 111.745 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -122.51 -8.52 8.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.361 1.864 . . . . 1.0 113.701 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 55.08 58.15 4.97 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.674 2.79 . . . . 1.0 112.576 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtm -135.4 169.39 17.57 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.486 1.514 . . . . 1.0 112.538 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.4 p -131.07 157.96 41.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.055 1.742 . . . . 1.0 111.994 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.444 1.498 . . . . 1.0 112.3 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.8 p -71.9 -30.54 65.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.4 m -150.48 153.89 34.96 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.121 1.369 . . . . 1.0 112.184 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.22 -40.07 42.68 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 124.182 3.255 . . . . 1.0 115.597 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -37.85 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.473 -0.767 . . . . 1.0 111.696 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.44 -40.08 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.666 0.786 . . . . 1.0 110.06 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.8 84.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.936 0.494 . . . . 1.0 110.97 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.62 -43.4 89.64 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.546 -0.721 . . . . 1.0 111.515 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 m -60.77 -36.2 78.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.501 0.72 . . . . 1.0 112.211 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -70.15 -50.22 42.66 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.717 -0.615 . . . . 1.0 111.248 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -56.03 -31.21 62.91 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.462 1.282 . . . . 1.0 114.462 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.43 -4.72 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.59 157.85 26.91 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.419 1.009 . . . . 1.0 114.46 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -57.45 -32.62 67.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.438 1.095 . . . . 1.0 113.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -56.75 -43.88 81.19 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.586 1.154 . . . . 1.0 111.255 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -70.25 -42.68 71.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.962 -0.461 . . . . 1.0 111.615 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.93 -37.65 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.953 0.901 . . . . 1.0 111.581 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.42 -40.11 74.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.408 -0.808 . . . . 1.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.083 0.953 . . . . 1.0 113.072 176.079 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 CA-C-O 121.033 0.241 . . . . 1.0 113.219 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.54 -36.7 76.64 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.8 -45.23 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.759 0.709 . . . . 1.0 111.734 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.9 83.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.194 0.598 . . . . 1.0 111.462 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.76 -46.24 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 122.973 0.509 . . . . 1.0 111.677 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -60.96 -43.06 99.27 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.121 0.873 . . . . 1.0 111.204 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -64.89 -43.21 93.64 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.724 0.809 . . . . 1.0 111.406 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -43.39 97.63 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.123 -0.986 . . . . 1.0 111.482 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.64 -46.62 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.849 0.86 . . . . 1.0 109.551 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -58.72 -47.55 84.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.569 1.148 . . . . 1.0 112.646 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.5 -13.93 62.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -132.88 36.45 3.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.2 1.4 . . . . 1.0 112.199 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.5 p -55.24 -16.96 3.76 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.444 1.646 . . . . 1.0 115.444 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -81.93 -14.67 55.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.223 1.809 . . . . 1.0 113.783 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.2 pt -135.36 -12.83 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 125.416 1.486 . . . . 1.0 114.902 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -128.46 152.98 47.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.249 1.82 . . . . 1.0 109.623 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -155.88 163.64 39.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.729 1.211 . . . . 1.0 111.391 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.98 -16.28 41.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.448 1.277 . . . . 1.0 114.448 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 p -126.42 -2.91 6.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.09 1.515 . . . . 1.0 115.09 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -163.13 135.78 5.45 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.123 1.329 . . . . 1.0 112.892 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.2 t -102.34 114.86 29.39 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.329 -1.36 . . . . 1.0 107.329 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -20.49 31.3 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.744 1.016 . . . . 1.0 113.744 -176.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.14 -36.08 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 118.967 0.803 . . . . 1.0 110.528 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.3 m -103.97 6.31 36.12 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.554 1.542 . . . . 1.0 112.637 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.3 m 38.13 55.79 1.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.049 2.539 . . . . 1.0 113.41 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.55 139.28 43.81 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.555 1.142 . . . . 1.0 112.685 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.3 t -87.62 146.08 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.534 1.134 . . . . 1.0 109.433 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -122.63 75.64 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.108 2.163 . . . . 1.0 108.653 -174.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.65 -17.58 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 116.688 2.107 . . . . 1.0 116.688 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -154.53 162.08 41.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.385 1.474 . . . . 1.0 110.65 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -57.02 -35.75 69.63 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.798 0.839 . . . . 1.0 112.112 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 p -62.18 -40.71 96.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.025 1.284 . . . . 1.0 112.263 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -67.4 -41.3 85.15 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.676 -0.64 . . . . 1.0 110.242 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -60.04 -47.7 84.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.244 0.618 . . . . 1.0 110.985 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.75 -48.22 81.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.149 0.98 . . . . 1.0 110.829 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.35 99.02 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.808 0.67 . . . . 1.0 112.808 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -66.31 -51.37 58.01 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.701 0.682 . . . . 1.0 112.264 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -66.38 -17.82 65.0 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.206 1.188 . . . . 1.0 114.206 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -97.94 -12.73 21.71 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.391 1.076 . . . . 1.0 113.459 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.0 p -68.65 154.72 41.39 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -68.09 -33.46 74.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.066 . . . . 1.0 111.874 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.34 -45.16 77.2 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.907 1.283 . . . . 1.0 110.991 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -61.72 -48.49 80.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.851 0.86 . . . . 1.0 110.468 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.13 83.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.94 0.496 . . . . 1.0 111.909 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -63.85 -47.24 81.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.554 -0.736 . . . . 1.0 112.003 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -60.19 -45.31 93.58 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.95 0.796 . . . . 1.0 111.746 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.4 t . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 118.816 -0.612 . . . . 1.0 110.689 177.628 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 118.033 2.605 . . . . 1.0 118.033 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -83.06 -27.22 30.43 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.839 1.199 . . . . 1.0 112.328 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.7 p -150.4 169.45 21.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.333 1.453 . . . . 1.0 113.22 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.7 t -134.61 92.12 20.37 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 127.374 2.269 . . . . 1.0 107.244 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 -29.78 25.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.403 2.735 . . . . 1.0 116.463 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.3 -47.66 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.458 1.481 . . . . 1.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.51 -9.06 58.38 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.294 1.038 . . . . 1.0 112.904 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 62.2 t30 52.28 63.55 2.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.868 3.267 . . . . 1.0 114.362 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -146.49 169.45 18.9 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.509 1.123 . . . . 1.0 113.178 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.8 p -125.76 163.08 23.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.901 1.68 . . . . 1.0 111.409 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.1 145.06 51.86 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.368 0.877 . . . . 1.0 113.368 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 p -77.05 -23.43 52.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.676 1.19 . . . . 1.0 113.814 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.8 m -145.32 149.04 39.89 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 126.242 1.817 . . . . 1.0 110.588 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.84 -27.93 59.18 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.246 2.631 . . . . 1.0 113.675 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.79 -32.89 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.669 0.788 . . . . 1.0 111.507 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.86 -42.04 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.652 0.781 . . . . 1.0 110.274 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.92 78.48 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.392 0.677 . . . . 1.0 110.836 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.95 -43.57 91.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.853 -0.529 . . . . 1.0 111.409 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -59.93 -38.38 82.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.415 1.086 . . . . 1.0 112.055 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -70.06 -43.13 71.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.822 0.849 . . . . 1.0 111.886 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.89 -27.98 63.21 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.704 1.742 . . . . 1.0 115.704 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -74.95 -0.09 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.358 1.435 . . . . 1.0 114.649 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.34 158.31 19.71 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.785 1.184 . . . . 1.0 113.709 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -62.34 -16.6 55.3 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.464 1.283 . . . . 1.0 114.464 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -52.89 -44.02 66.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.756 1.162 . . . . 1.0 112.25 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.39 -47.03 83.71 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.631 -0.668 . . . . 1.0 110.802 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.93 -37.11 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.301 1.44 . . . . 1.0 112.516 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.56 -37.73 84.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.093 -1.004 . . . . 1.0 110.609 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.476 173.648 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 112.649 -0.18 . . . . 1.0 112.649 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -55.63 -43.13 75.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.534 0.734 . . . . 1.0 112.707 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.26 -41.9 94.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.398 1.079 . . . . 1.0 112.447 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.41 74.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 1.0 111.208 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.32 -44.77 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.381 0.537 . . . . 1.0 110.438 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -60.24 -44.33 95.32 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.839 0.855 . . . . 1.0 111.125 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.3 m -63.96 -40.99 97.68 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.459 0.704 . . . . 1.0 112.498 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.56 -43.65 98.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.582 1.153 . . . . 1.0 111.009 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.38 -46.48 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.208 1.003 . . . . 1.0 110.417 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -56.85 -46.99 81.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.103 1.361 . . . . 1.0 112.6 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -83.6 -7.24 59.55 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.467 1.284 . . . . 1.0 114.467 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -134.33 36.28 3.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.215 1.406 . . . . 1.0 111.779 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.0 p -54.63 -18.31 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.655 1.724 . . . . 1.0 115.655 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -76.98 -20.26 56.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.634 1.573 . . . . 1.0 113.504 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.08 -17.48 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.392 1.477 . . . . 1.0 114.955 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.84 149.83 48.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.672 1.589 . . . . 1.0 109.614 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -153.06 169.34 23.18 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.237 1.015 . . . . 1.0 111.966 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.73 -19.22 48.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.81 1.244 . . . . 1.0 113.951 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -133.5 4.28 3.65 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.885 1.809 . . . . 1.0 115.885 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -163.34 144.41 9.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.65 1.568 . . . . 1.0 113.233 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.9 t -115.83 114.66 25.04 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.197 1.399 . . . . 1.0 108.398 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -76.69 -33.21 58.24 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.056 0.761 . . . . 1.0 113.056 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.61 -33.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.336 0.655 . . . . 1.0 111.525 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.6 9.64 25.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 1.0 112.342 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m 34.72 56.98 0.73 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.672 2.789 . . . . 1.0 113.623 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.78 141.02 42.94 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.288 1.035 . . . . 1.0 113.235 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -87.83 147.43 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.828 1.251 . . . . 1.0 109.364 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.79 70.01 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.145 2.178 . . . . 1.0 109.248 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -52.2 -19.74 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 117.06 2.245 . . . . 1.0 117.06 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 m -145.95 157.94 43.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.071 1.348 . . . . 1.0 111.074 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.93 -36.4 70.19 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.0 p -60.18 -37.3 79.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.572 1.078 . . . . 1.0 112.508 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -69.97 -45.01 68.29 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.333 0.653 . . . . 1.0 109.854 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -60.13 -47.65 85.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.457 0.703 . . . . 1.0 111.038 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.57 -43.57 98.48 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.208 1.003 . . . . 1.0 111.564 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -40.96 77.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.329 0.968 . . . . 1.0 112.522 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -66.55 -51.31 57.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.521 0.601 . . . . 1.0 111.831 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -66.97 -31.85 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.07 -8.67 59.51 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.237 0.926 . . . . 1.0 113.346 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.5 t -67.94 136.76 54.47 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.199 -0.938 . . . . 1.0 112.707 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -63.08 -30.45 71.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.468 0.707 . . . . 1.0 111.452 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.89 -45.15 87.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.827 0.851 . . . . 1.0 110.428 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -60.91 -49.39 77.67 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.551 0.741 . . . . 1.0 110.404 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.34 84.5 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -64.0 -46.07 86.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.559 -0.713 . . . . 1.0 111.656 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -61.01 -43.78 98.38 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.168 0.987 . . . . 1.0 110.86 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 124.166 0.986 . . . . 1.0 110.98 175.304 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -125.91 -10.78 6.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.608 1.963 . . . . 1.0 112.53 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.5 p -135.89 164.42 27.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.026 1.33 . . . . 1.0 113.583 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.8 t -148.02 89.37 5.28 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.734 1.614 . . . . 1.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.86 -30.09 22.34 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.889 2.393 . . . . 1.0 114.879 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.4 t -64.53 -46.88 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.189 0.904 . . . . 1.0 110.405 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -83.94 -8.93 59.05 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.598 1.159 . . . . 1.0 112.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.89 59.57 3.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.982 3.313 . . . . 1.0 114.117 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -150.26 179.38 8.16 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.136 1.374 . . . . 1.0 113.361 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.7 p -132.03 167.51 19.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.012 1.725 . . . . 1.0 112.917 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -131.22 147.03 52.55 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.268 1.427 . . . . 1.0 112.019 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.0 p -77.63 -26.49 50.58 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.114 0.966 . . . . 1.0 113.328 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -139.02 145.57 45.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.598 1.559 . . . . 1.0 112.19 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.13 -25.1 65.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.993 2.462 . . . . 1.0 113.137 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.6 t -63.92 -38.93 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.244 0.929 . . . . 1.0 110.448 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 t -65.65 -43.74 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.913 0.885 . . . . 1.0 109.951 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.45 65.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.703 0.801 . . . . 1.0 111.828 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.79 -42.85 90.01 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.753 0.821 . . . . 1.0 111.827 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.8 t -63.9 -40.36 96.32 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.844 . . . . 1.0 111.844 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -66.97 -48.25 69.09 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 1.0 112.935 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -54.93 -31.09 60.03 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.681 1.363 . . . . 1.0 114.681 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.32 -2.08 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 113.942 1.09 . . . . 1.0 113.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.44 153.75 21.87 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.342 0.972 . . . . 1.0 113.298 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.7 -25.7 67.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.128 1.158 . . . . 1.0 114.128 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.3 m -59.12 -40.07 84.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.22 0.918 . . . . 1.0 111.138 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -69.35 -46.62 66.56 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.377 0.671 . . . . 1.0 110.614 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.969 1.308 . . . . 1.0 112.242 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.18 -40.42 85.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.421 -0.8 . . . . 1.0 110.702 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 123.647 0.779 . . . . 1.0 111.606 175.735 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 113.384 0.114 . . . . 1.0 113.384 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.85 -37.93 71.99 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.92 -44.69 91.37 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.886 0.766 . . . . 1.0 111.885 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.36 74.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.053 -0.498 . . . . 1.0 111.52 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.43 -42.97 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.351 0.978 . . . . 1.0 110.652 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -59.68 -46.18 89.82 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.205 1.002 . . . . 1.0 110.799 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.0 t -62.16 -44.2 97.14 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.898 -0.502 . . . . 1.0 111.343 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.85 -41.57 91.74 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.807 1.243 . . . . 1.0 112.158 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.13 -50.12 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.134 0.974 . . . . 1.0 109.877 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -61.26 -42.73 99.13 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.305 1.042 . . . . 1.0 113.091 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -68.98 -15.22 63.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.295 1.038 . . . . 1.0 113.359 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -131.43 35.61 3.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.694 1.598 . . . . 1.0 112.083 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -53.62 -19.82 4.41 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.553 1.686 . . . . 1.0 115.553 -177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -74.82 -19.82 60.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.746 1.619 . . . . 1.0 113.598 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -131.97 -20.88 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.27 1.582 . . . . 1.0 115.27 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -121.75 150.25 42.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.253 1.421 . . . . 1.0 109.827 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -154.87 168.61 26.34 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.799 1.24 . . . . 1.0 111.276 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.74 -15.41 53.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.991 1.108 . . . . 1.0 113.991 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 p -131.8 0.87 3.95 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.743 1.757 . . . . 1.0 115.743 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -163.81 145.4 9.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.454 1.479 . . . . 1.0 113.398 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -117.24 115.8 26.0 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.221 1.408 . . . . 1.0 108.966 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -73.92 -37.22 64.69 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.687 0.995 . . . . 1.0 113.687 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.6 -39.45 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.62 0.768 . . . . 1.0 111.126 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -101.54 8.11 42.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.437 1.495 . . . . 1.0 112.407 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 32.59 54.93 0.38 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.092 2.957 . . . . 1.0 114.034 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.13 145.86 44.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.738 1.215 . . . . 1.0 113.079 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.9 149.7 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.118 1.367 . . . . 1.0 109.742 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 mt -125.46 73.79 1.34 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.343 2.257 . . . . 1.0 109.147 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.81 -12.62 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 117.048 2.24 . . . . 1.0 117.048 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -152.23 156.25 39.35 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.068 1.347 . . . . 1.0 110.951 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -56.94 -39.17 74.04 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.804 0.842 . . . . 1.0 112.184 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -61.84 -35.78 79.27 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.238 0.926 . . . . 1.0 112.02 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.76 -43.83 74.97 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.853 -0.529 . . . . 1.0 109.799 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -58.6 -47.68 83.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.414 0.686 . . . . 1.0 111.007 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.0 -52.15 66.21 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.029 0.932 . . . . 1.0 110.777 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.63 86.96 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -67.85 -51.12 51.99 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.951 0.796 . . . . 1.0 112.11 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -66.13 -17.34 64.65 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.499 0.925 . . . . 1.0 113.499 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -102.61 -2.87 27.57 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.315 1.446 . . . . 1.0 112.905 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -71.55 133.56 45.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.635 1.174 . . . . 1.0 112.846 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -55.02 -31.36 61.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.379 1.472 . . . . 1.0 112.803 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -39.25 82.56 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.643 1.177 . . . . 1.0 112.097 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -61.27 -43.14 99.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.101 0.96 . . . . 1.0 111.001 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.98 81.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.755 0.707 . . . . 1.0 111.994 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -62.78 -47.1 84.95 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.107 0.563 . . . . 1.0 111.752 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -65.52 -40.83 93.4 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.734 0.642 . . . . 1.0 112.734 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 N--CA 1.475 0.821 0 CA-C-N 118.589 0.631 . . . . 1.0 110.437 175.54 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 114.353 1.242 . . . . 1.0 114.353 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -123.2 -32.31 3.46 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.649 1.179 . . . . 1.0 113.498 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.2 m -139.0 158.45 44.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.911 0.884 . . . . 1.0 112.656 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.2 t -133.93 99.29 13.88 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.94 1.696 . . . . 1.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -70.87 -20.34 29.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.909 2.406 . . . . 1.0 113.294 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.28 -37.17 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.03 1.332 . . . . 1.0 111.163 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.5 m -111.01 -11.33 14.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.961 1.704 . . . . 1.0 113.722 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.9 t30 58.82 57.2 3.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.102 2.561 . . . . 1.0 111.963 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.9 mtm -135.61 170.61 15.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.676 1.59 . . . . 1.0 112.602 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.2 p -131.07 161.08 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.8 1.64 . . . . 1.0 111.769 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.23 147.06 52.55 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.714 1.605 . . . . 1.0 112.259 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 p -76.05 -21.25 56.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 157.32 23.13 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 125.623 1.569 . . . . 1.0 111.949 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.06 -36.62 66.18 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.975 3.117 . . . . 1.0 114.938 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.42 -37.2 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.601 0.76 . . . . 1.0 111.27 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 -39.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.908 0.883 . . . . 1.0 110.107 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.11 74.65 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.22 0.608 . . . . 1.0 110.752 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -43.03 91.74 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.665 0.786 . . . . 1.0 111.585 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.0 m -61.76 -38.08 86.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.889 0.876 . . . . 1.0 111.979 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.29 -48.27 68.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.557 0.743 . . . . 1.0 111.343 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.56 -31.22 67.79 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.365 1.246 . . . . 1.0 114.365 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -89.58 -3.13 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 113.358 0.873 . . . . 1.0 113.358 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.31 160.64 22.14 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.924 1.25 . . . . 1.0 114.066 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -59.54 -30.51 68.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -55.28 -44.09 75.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.287 1.035 . . . . 1.0 111.987 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -68.86 -45.31 71.39 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.826 -0.546 . . . . 1.0 111.227 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.82 -43.88 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.019 1.328 . . . . 1.0 112.205 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -59.96 -40.97 90.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.685 0.794 . . . . 1.0 111.355 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 118.141 -0.933 . . . . 1.0 112.802 176.845 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 CA-C-O 121.227 0.348 . . . . 1.0 113.741 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -55.8 -38.34 69.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.544 1.138 . . . . 1.0 113.273 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -61.63 -44.91 96.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.585 0.754 . . . . 1.0 112.325 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.07 76.64 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.114 0.565 . . . . 1.0 111.302 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.52 -44.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.004 0.522 . . . . 1.0 110.872 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.24 -47.82 84.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.626 -0.671 . . . . 1.0 110.809 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.67 0.668 . . . . 1.0 111.79 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.94 -40.69 85.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.418 1.087 . . . . 1.0 111.493 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.84 -48.39 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.033 0.933 . . . . 1.0 110.258 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -62.2 -40.79 97.24 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.477 1.035 . . . . 1.0 113.199 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.8 -15.09 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -134.35 36.99 3.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.146 1.378 . . . . 1.0 112.523 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.3 p -52.97 -20.18 3.21 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.737 1.754 . . . . 1.0 115.737 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -75.86 -20.51 58.04 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.73 1.612 . . . . 1.0 113.841 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.14 -19.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.021 1.489 . . . . 1.0 115.021 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -124.56 142.17 51.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.269 1.427 . . . . 1.0 109.301 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 p -145.82 172.74 12.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.472 1.109 . . . . 1.0 111.31 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.18 -11.77 44.07 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.469 0.914 . . . . 1.0 113.469 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.81 -1.15 3.07 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.656 1.724 . . . . 1.0 115.656 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -161.13 146.49 14.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.735 1.607 . . . . 1.0 113.493 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -117.35 114.44 23.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.876 1.271 . . . . 1.0 108.189 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -76.89 -31.57 56.84 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.71 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.227 0.611 . . . . 1.0 110.756 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.2 m -98.7 6.43 46.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.554 1.541 . . . . 1.0 112.724 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m 36.98 55.07 1.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 128.24 2.616 . . . . 1.0 113.276 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.98 143.02 42.59 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.403 1.081 . . . . 1.0 113.408 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.92 148.51 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.049 1.34 . . . . 1.0 109.511 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -126.68 71.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.487 2.315 . . . . 1.0 108.741 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -50.75 -21.6 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 116.907 2.188 . . . . 1.0 116.907 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -144.62 157.43 44.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.372 1.469 . . . . 1.0 110.948 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.85 -35.5 68.93 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.268 0.627 . . . . 1.0 112.388 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.37 -38.46 77.32 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.302 -0.874 . . . . 1.0 112.481 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -69.64 -42.7 73.94 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.719 0.807 . . . . 1.0 110.087 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.71 -47.48 85.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 1.0 110.963 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.02 -41.07 95.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.292 1.037 . . . . 1.0 111.819 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.6 -47.1 61.87 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.961 0.801 . . . . 1.0 112.786 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -61.55 -51.1 70.0 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.997 0.919 . . . . 1.0 112.762 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -68.13 -21.57 64.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -89.66 -15.84 31.76 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.038 0.835 . . . . 1.0 112.727 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 140.4 58.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 1.0 113.803 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.4 -32.6 74.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.833 0.853 . . . . 1.0 111.613 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.35 -42.22 96.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.985 0.914 . . . . 1.0 111.448 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -60.05 -48.93 79.66 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.142 0.577 . . . . 1.0 110.498 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.44 89.26 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.226 0.466 . . . . 1.0 112.167 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.21 -45.41 94.68 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.68 -0.637 . . . . 1.0 111.091 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.68 -43.3 99.12 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.211 1.004 . . . . 1.0 111.348 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 N--CA 1.475 0.784 0 C-N-CA 123.995 0.918 . . . . 1.0 110.691 175.815 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.201 0.815 . . . . 1.0 113.201 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -134.74 -17.83 1.92 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.543 1.537 . . . . 1.0 114.192 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -142.43 159.05 42.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.502 1.521 . . . . 1.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -136.15 89.76 19.45 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.713 2.005 . . . . 1.0 108.684 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.13 -23.45 60.38 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.667 2.245 . . . . 1.0 113.339 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.05 -35.87 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.29 1.036 . . . . 1.0 110.96 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.8 m -109.3 -4.68 16.26 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.778 1.631 . . . . 1.0 113.975 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.06 59.39 4.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.769 2.828 . . . . 1.0 112.794 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.7 ptm -149.17 171.56 16.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.456 1.502 . . . . 1.0 112.948 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -128.45 168.79 15.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.111 1.764 . . . . 1.0 112.777 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -130.9 147.0 52.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.612 1.165 . . . . 1.0 113.328 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 p -69.07 -37.93 78.76 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 1.0 113.305 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 m -141.23 155.07 68.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 125.751 1.62 . . . . 1.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.46 -28.84 78.26 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.361 2.707 . . . . 1.0 114.178 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.97 -37.23 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 1.0 110.805 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.52 -42.91 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.846 0.858 . . . . 1.0 109.988 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.44 73.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.847 0.859 . . . . 1.0 112.913 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -39.24 93.52 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.42 -0.8 . . . . 1.0 112.109 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.6 m -64.19 -38.67 91.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.856 0.862 . . . . 1.0 112.139 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -61.92 -49.67 75.24 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.608 -0.683 . . . . 1.0 111.641 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -56.21 -14.7 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.27 6.17 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.099 1.36 . . . . 1.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.72 159.48 19.06 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.211 1.386 . . . . 1.0 113.766 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.02 -36.11 67.61 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.226 1.195 . . . . 1.0 114.226 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -56.13 -41.7 75.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.981 0.913 . . . . 1.0 111.807 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.19 -44.29 68.99 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.449 0.7 . . . . 1.0 110.968 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.22 -38.55 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.271 1.029 . . . . 1.0 111.982 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -59.05 -36.2 74.64 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.27 -0.894 . . . . 1.0 110.995 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 118.219 -0.896 . . . . 1.0 111.467 174.742 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.212 0 CA-C-O 121.94 0.745 . . . . 1.0 114.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.53 -38.59 87.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.489 0.716 . . . . 1.0 112.652 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -58.18 -46.18 86.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.722 1.209 . . . . 1.0 113.249 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.79 85.28 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.84 -0.538 . . . . 1.0 111.562 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.2 -43.49 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.098 0.559 . . . . 1.0 110.688 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.87 -44.17 94.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.783 0.833 . . . . 1.0 111.085 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.32 -44.08 92.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.338 0.655 . . . . 1.0 111.231 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.19 -42.54 91.1 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.331 1.452 . . . . 1.0 111.47 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.8 -49.67 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.798 0.839 . . . . 1.0 109.725 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.76 -46.62 84.27 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.336 1.454 . . . . 1.0 113.364 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.74 -15.47 63.15 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.455 1.102 . . . . 1.0 113.664 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -130.99 36.04 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.404 1.482 . . . . 1.0 112.385 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -54.12 -19.1 4.44 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.633 1.716 . . . . 1.0 115.633 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -75.38 -19.22 59.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.672 1.589 . . . . 1.0 113.648 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.7 pt -130.77 -19.33 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.0 1.481 . . . . 1.0 115.0 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -123.94 150.2 45.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.044 1.338 . . . . 1.0 109.965 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -149.01 173.51 13.28 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.034 0.933 . . . . 1.0 111.959 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -17.4 56.65 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.978 1.311 . . . . 1.0 113.503 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -135.87 0.32 2.65 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.804 1.779 . . . . 1.0 115.804 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -159.22 146.49 17.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.909 1.686 . . . . 1.0 113.539 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -117.75 115.45 25.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.986 1.314 . . . . 1.0 109.807 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.52 -37.9 65.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.285 0.846 . . . . 1.0 113.285 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.95 -40.85 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.462 1.105 . . . . 1.0 111.722 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.41 7.25 44.36 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.946 1.298 . . . . 1.0 112.022 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 p 34.1 52.49 0.48 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.327 3.051 . . . . 1.0 114.19 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.23 149.57 47.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.82 1.248 . . . . 1.0 113.516 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.89 148.05 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.222 1.409 . . . . 1.0 109.677 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.8 mt -122.55 75.04 1.22 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.631 2.372 . . . . 1.0 107.879 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 pt -51.66 -19.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 117.192 2.293 . . . . 1.0 117.192 -173.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 t -154.16 164.12 39.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.817 1.247 . . . . 1.0 111.04 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.5 -38.06 74.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.798 0.839 . . . . 1.0 112.766 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 p -61.58 -39.54 91.54 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.807 1.185 . . . . 1.0 112.335 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -67.92 -43.81 78.32 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.858 -0.526 . . . . 1.0 110.316 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -59.3 -47.76 84.16 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.594 0.634 . . . . 1.0 111.324 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.32 -54.07 50.09 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.375 1.07 . . . . 1.0 110.492 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.39 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.402 0.89 . . . . 1.0 113.402 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -66.25 -51.36 58.31 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.801 -0.562 . . . . 1.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.22 -26.52 63.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -69.09 -27.94 66.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.897 1.073 . . . . 1.0 113.897 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -75.51 147.46 39.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -27.52 68.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.816 1.646 . . . . 1.0 111.817 174.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.66 -43.19 94.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.083 1.353 . . . . 1.0 111.222 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -60.21 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.17 0.588 . . . . 1.0 110.29 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.94 73.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.608 0.596 . . . . 1.0 112.608 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.64 -42.51 82.15 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.202 -0.936 . . . . 1.0 111.152 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.55 -36.67 84.49 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.5 -0.75 . . . . 1.0 110.952 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 N--CA 1.479 0.985 0 CA-C-N 119.227 0.921 . . . . 1.0 109.988 173.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 116.029 1.862 . . . . 1.0 116.029 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.23 -15.63 4.12 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.549 1.685 . . . . 1.0 115.549 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.9 t -145.15 157.04 44.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.965 1.306 . . . . 1.0 111.769 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -140.58 88.02 11.21 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.267 1.427 . . . . 1.0 110.908 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.63 -27.19 82.12 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.59 2.86 . . . . 1.0 113.973 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.41 -28.14 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.886 1.674 . . . . 1.0 112.075 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.25 -8.68 9.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.976 1.711 . . . . 1.0 113.485 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.11 57.94 3.78 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 128.911 2.884 . . . . 1.0 111.602 -176.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.5 mtm -137.01 169.13 18.3 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.306 1.442 . . . . 1.0 112.946 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 39.6 p -132.02 161.07 34.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.478 1.911 . . . . 1.0 110.824 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -131.12 142.49 50.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.973 0.909 . . . . 1.0 112.635 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -80.08 -10.77 59.79 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.259 1.424 . . . . 1.0 114.37 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 t -151.09 145.57 18.23 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 125.563 1.545 . . . . 1.0 111.111 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -64.69 -26.21 61.06 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.776 2.317 . . . . 1.0 112.501 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -66.23 -39.52 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.445 0.698 . . . . 1.0 110.449 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.67 -43.91 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.809 0.843 . . . . 1.0 109.914 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.01 74.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.409 0.684 . . . . 1.0 111.715 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.63 -42.26 87.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.829 0.851 . . . . 1.0 111.752 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 t -64.92 -43.31 93.21 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.554 0.742 . . . . 1.0 111.286 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -61.96 -48.85 78.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.996 0.919 . . . . 1.0 112.864 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -56.92 -17.38 9.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.009 1.485 . . . . 1.0 115.009 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -113.71 3.69 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.056 1.343 . . . . 1.0 113.469 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.03 158.04 24.61 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.585 1.088 . . . . 1.0 113.496 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.55 -30.54 68.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.63 0.974 . . . . 1.0 113.63 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.9 m -59.36 -42.54 91.84 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.248 1.019 . . . . 1.0 111.53 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -65.47 -44.09 88.23 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.529 0.731 . . . . 1.0 110.982 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.74 -41.69 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.828 1.251 . . . . 1.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.64 -39.69 85.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.178 0.991 . . . . 1.0 111.411 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 . . . . . 0 CA--C 1.546 0.804 0 CA-C-O 118.643 -0.694 . . . . 1.0 112.697 176.645 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.161 0 CA-C-O 121.045 0.247 . . . . 1.0 113.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -56.22 -43.4 78.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.086 1.354 . . . . 1.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.88 -43.81 87.22 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.036 0.934 . . . . 1.0 112.085 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.76 98.12 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.312 0.486 . . . . 1.0 112.312 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.5 t -65.89 -46.75 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.816 0.735 . . . . 1.0 111.232 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -65.59 -37.51 86.86 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.668 -0.645 . . . . 1.0 111.817 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -65.52 -44.07 88.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.165 0.586 . . . . 1.0 111.408 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.13 -42.27 98.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.846 0.858 . . . . 1.0 111.384 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.89 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.841 0.857 . . . . 1.0 109.997 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -59.19 -44.43 92.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.397 1.079 . . . . 1.0 113.17 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.63 -14.2 61.54 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.142 1.164 . . . . 1.0 114.142 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -134.5 39.25 3.05 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.052 1.341 . . . . 1.0 112.524 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.6 p -53.38 -18.57 2.68 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.543 1.682 . . . . 1.0 115.543 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.51 -21.18 56.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.755 1.622 . . . . 1.0 113.894 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.85 -19.54 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 114.983 1.475 . . . . 1.0 114.983 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -123.95 149.08 46.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.335 1.454 . . . . 1.0 109.377 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -151.85 169.49 22.14 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.109 0.964 . . . . 1.0 111.791 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.89 -19.3 50.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.766 1.227 . . . . 1.0 113.958 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.8 p -133.64 3.39 3.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.786 1.772 . . . . 1.0 115.786 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.84 145.86 10.87 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.643 1.565 . . . . 1.0 113.472 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -117.26 116.47 27.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.415 1.486 . . . . 1.0 109.259 173.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -76.96 -33.19 57.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.713 1.005 . . . . 1.0 113.713 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.11 -40.54 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.148 0.886 . . . . 1.0 110.588 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -98.99 6.6 46.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.704 1.202 . . . . 1.0 112.619 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m 36.84 55.63 1.19 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.387 2.675 . . . . 1.0 113.432 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.16 143.2 42.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.283 1.033 . . . . 1.0 113.465 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.89 146.98 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.982 1.313 . . . . 1.0 109.488 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -124.37 75.17 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.406 2.282 . . . . 1.0 108.855 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 pt -53.29 -15.75 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -155.51 160.43 40.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.055 1.342 . . . . 1.0 110.829 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.65 -34.69 69.62 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.95 0.9 . . . . 1.0 112.376 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -62.5 -41.49 98.86 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 1.0 111.904 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.42 -41.73 79.95 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.613 0.765 . . . . 1.0 110.431 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -60.21 -47.64 85.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.405 0.682 . . . . 1.0 110.642 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.6 -44.66 96.01 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.717 1.207 . . . . 1.0 111.476 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.91 86.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.78 0.718 . . . . 1.0 112.185 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.88 -51.29 62.8 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.49 0.552 . . . . 1.0 112.49 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -68.45 -27.75 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.837 1.051 . . . . 1.0 113.837 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -82.86 -15.04 53.09 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.499 1.045 . . . . 1.0 112.825 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -64.45 138.85 58.64 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.712 1.004 . . . . 1.0 113.712 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -62.44 -32.64 73.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.94 0.896 . . . . 1.0 111.484 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -61.89 -45.27 94.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.191 0.996 . . . . 1.0 111.212 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -63.76 -49.66 72.12 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.473 0.709 . . . . 1.0 110.653 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.51 91.81 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.49 -47.03 85.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.616 0.767 . . . . 1.0 111.093 176.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.47 -41.19 96.86 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.341 0.519 . . . . 1.0 111.611 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.675 0.79 . . . . 1.0 111.118 176.099 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 115.821 1.785 . . . . 1.0 115.821 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -135.5 -14.18 1.96 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.983 1.713 . . . . 1.0 114.713 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.4 p -150.03 162.81 39.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.81 1.411 . . . . 1.0 114.81 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.9 t -146.16 95.22 4.78 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.107 1.763 . . . . 1.0 110.307 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.28 -25.0 31.23 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.756 2.304 . . . . 1.0 113.293 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.81 -28.2 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.818 1.247 . . . . 1.0 111.52 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -121.27 1.3 10.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.428 1.891 . . . . 1.0 114.364 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.29 9.1 p30 45.95 54.16 8.3 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 129.087 2.955 . . . . 1.0 113.893 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.48 168.34 18.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.454 1.501 . . . . 1.0 112.884 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -130.96 160.26 35.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.455 1.902 . . . . 1.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -131.19 144.72 51.56 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.962 1.305 . . . . 1.0 111.794 -176.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 p -72.27 -35.19 68.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 m -144.79 156.63 55.74 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.219 1.407 . . . . 1.0 112.305 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.56 -41.58 44.35 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.991 3.127 . . . . 1.0 115.22 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.1 t -63.56 -34.24 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.567 -0.708 . . . . 1.0 112.029 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.76 -40.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.639 0.776 . . . . 1.0 109.69 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.66 77.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.049 0.54 . . . . 1.0 110.802 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.44 -43.06 88.62 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.584 -0.698 . . . . 1.0 111.123 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.9 m -59.78 -35.94 75.68 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.881 0.872 . . . . 1.0 112.127 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.1 -50.32 29.08 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.231 0.469 . . . . 1.0 111.122 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -60.7 -38.91 86.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.109 1.151 . . . . 1.0 114.109 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -81.34 -16.2 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.077 0.853 . . . . 1.0 113.214 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.97 161.78 33.42 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.524 1.059 . . . . 1.0 113.857 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.91 -21.09 66.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.977 1.102 . . . . 1.0 113.977 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 m -55.01 -44.06 74.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.57 1.148 . . . . 1.0 111.522 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -70.37 -44.91 67.1 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.592 0.757 . . . . 1.0 111.766 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.99 -34.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.179 1.392 . . . . 1.0 112.235 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.01 -43.47 77.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 1.0 110.318 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.535 0.404 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.563 175.345 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.097 0 CA-C-O 120.801 0.112 . . . . 1.0 113.053 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.86 -41.44 74.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.762 1.225 . . . . 1.0 113.077 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.897 0.879 . . . . 1.0 112.113 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.82 80.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 1.0 111.075 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.31 -45.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.019 0.528 . . . . 1.0 110.531 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -58.99 -45.3 90.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.498 0.719 . . . . 1.0 111.417 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.1 m -64.19 -43.38 95.25 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.421 0.689 . . . . 1.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.1 -43.89 91.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.476 1.11 . . . . 1.0 111.402 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.89 -48.7 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.109 0.963 . . . . 1.0 110.049 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.04 -47.4 81.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.019 1.327 . . . . 1.0 112.643 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -15.87 62.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.526 1.13 . . . . 1.0 114.044 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -132.34 39.85 3.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.568 1.147 . . . . 1.0 113.769 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -54.16 -19.1 4.52 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.441 1.645 . . . . 1.0 115.441 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -77.77 -15.2 59.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.459 1.904 . . . . 1.0 114.135 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.3 pt -135.14 -20.86 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.631 1.345 . . . . 1.0 114.631 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -124.28 148.34 47.47 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.417 1.487 . . . . 1.0 109.283 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.8 p -152.11 171.81 17.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.858 0.837 . . . . 1.0 112.488 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.61 -20.28 60.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.108 1.363 . . . . 1.0 114.266 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -134.7 2.55 3.19 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.673 1.731 . . . . 1.0 115.673 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -161.83 146.2 12.76 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.481 1.491 . . . . 1.0 113.198 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.9 t -117.29 114.92 24.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.981 1.312 . . . . 1.0 109.361 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.58 -38.9 65.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.321 1.448 . . . . 1.0 114.034 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.26 -40.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 118.868 0.758 . . . . 1.0 111.091 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -97.23 0.86 48.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.971 1.308 . . . . 1.0 112.592 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m 37.37 55.73 1.38 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.487 2.715 . . . . 1.0 112.829 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.05 144.5 43.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.918 1.287 . . . . 1.0 112.901 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.84 146.69 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.939 1.296 . . . . 1.0 109.961 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.91 72.3 1.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.544 2.338 . . . . 1.0 108.579 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 pt -51.84 -21.79 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 117.133 2.272 . . . . 1.0 117.133 -174.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -145.62 157.32 43.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.295 1.438 . . . . 1.0 111.157 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.94 -40.49 76.5 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.466 -0.771 . . . . 1.0 112.438 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -60.64 -39.77 89.54 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.278 0.945 . . . . 1.0 111.988 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -66.11 -41.99 89.81 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.238 1.015 . . . . 1.0 110.665 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -61.76 -47.79 83.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.61 0.764 . . . . 1.0 110.537 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.15 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.292 1.037 . . . . 1.0 111.571 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.62 76.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.596 0.634 . . . . 1.0 112.073 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -61.54 -51.58 68.02 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.592 0.633 . . . . 1.0 112.593 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -65.6 -29.14 69.69 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.443 0.905 . . . . 1.0 113.443 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.92 -9.48 53.52 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.793 1.035 . . . . 1.0 113.793 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 m -74.63 141.56 44.64 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.12 -0.987 . . . . 1.0 112.339 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -57.09 -32.92 66.77 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.245 1.018 . . . . 1.0 113.221 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -59.94 -39.87 87.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.675 1.19 . . . . 1.0 112.179 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -66.17 -48.99 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.514 0.726 . . . . 1.0 110.245 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.18 85.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.048 0.539 . . . . 1.0 111.997 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.41 -47.34 86.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.415 0.686 . . . . 1.0 111.428 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.43 -38.48 91.18 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.905 -0.569 . . . . 1.0 112.431 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 N--CA 1.477 0.881 0 CA-C-N 119.164 0.893 . . . . 1.0 110.56 174.578 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.963 0.727 . . . . 1.0 112.963 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.04 -15.06 20.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.949 1.299 . . . . 1.0 111.888 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -150.53 172.36 15.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.665 1.986 . . . . 1.0 112.228 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -136.54 102.11 9.69 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.672 1.989 . . . . 1.0 108.609 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.35 -19.11 25.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.064 2.509 . . . . 1.0 114.247 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.67 -41.73 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.161 0.891 . . . . 1.0 110.286 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.08 -12.33 20.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.003 1.321 . . . . 1.0 113.34 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.85 59.54 3.13 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.27 2.628 . . . . 1.0 112.022 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtm -133.58 167.73 19.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.545 1.538 . . . . 1.0 112.545 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.4 p -122.82 157.53 32.26 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.178 1.791 . . . . 1.0 111.782 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.27 147.15 52.55 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.192 1.397 . . . . 1.0 112.944 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.1 p -81.04 -15.28 56.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.668 1.187 . . . . 1.0 113.809 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -157.49 147.87 15.93 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.998 1.719 . . . . 1.0 111.192 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.01 -21.61 73.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.111 2.54 . . . . 1.0 112.841 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.88 -38.11 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.421 -0.799 . . . . 1.0 109.939 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 t -65.22 -41.78 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.756 0.822 . . . . 1.0 110.248 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.34 78.03 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.288 0.635 . . . . 1.0 111.203 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.31 -43.39 92.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.408 0.683 . . . . 1.0 112.177 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.2 m -67.46 -38.48 84.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.23 0.612 . . . . 1.0 112.057 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.44 -47.29 84.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.343 1.057 . . . . 1.0 112.043 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.63 -22.05 63.38 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.833 1.419 . . . . 1.0 114.833 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.3 pt -101.11 3.6 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.343 1.057 . . . . 1.0 112.952 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.49 155.72 18.95 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.269 1.414 . . . . 1.0 112.86 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.89 -30.96 64.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.101 1.149 . . . . 1.0 114.101 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.0 m -56.83 -44.29 81.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.077 0.951 . . . . 1.0 112.153 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.17 -43.43 70.85 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.679 -0.638 . . . . 1.0 111.343 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.67 -42.28 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.904 1.281 . . . . 1.0 111.202 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.29 -44.56 92.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.238 1.015 . . . . 1.0 110.613 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 117.986 -1.007 . . . . 1.0 113.1 177.775 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 113.599 0.963 . . . . 1.0 113.599 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -132.59 10.8 4.4 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.829 1.652 . . . . 1.0 112.848 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.8 167.64 23.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.854 1.662 . . . . 1.0 112.134 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -135.75 -5.16 2.21 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.91 2.084 . . . . 1.0 112.397 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -155.83 -177.48 29.09 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.384 1.468 . . . . 1.0 113.469 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -153.45 167.67 28.68 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.26 1.424 . . . . 1.0 111.242 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.67 178.7 42.06 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.729 1.157 . . . . 1.0 113.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -144.25 141.71 30.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.459 1.104 . . . . 1.0 112.475 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.61 165.26 36.77 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.643 1.977 . . . . 1.0 110.587 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -150.61 126.69 10.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.923 0.889 . . . . 1.0 111.874 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -138.53 14.22 2.75 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.233 1.813 . . . . 1.0 112.803 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.25 161.26 79.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 127.356 2.262 . . . . 1.0 112.888 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.67 154.42 74.51 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.612 2.208 . . . . 1.0 110.612 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.0 t -136.69 109.91 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.559 1.143 . . . . 1.0 109.442 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.97 165.48 40.75 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.003 1.287 . . . . 1.0 114.311 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.94 -39.87 72.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.21 1.404 . . . . 1.0 114.092 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.34 -44.03 97.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.322 0.649 . . . . 1.0 111.984 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.79 80.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.034 0.534 . . . . 1.0 111.458 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.29 0.495 . . . . 1.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.17 -43.15 99.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.966 0.803 . . . . 1.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 m -62.55 -44.32 96.63 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.858 -0.526 . . . . 1.0 111.347 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.44 -41.6 94.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.713 1.205 . . . . 1.0 111.748 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.9 -50.09 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.09 0.956 . . . . 1.0 110.045 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.85 -42.45 99.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.697 0.799 . . . . 1.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.73 -13.79 62.2 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.779 1.029 . . . . 1.0 113.779 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -133.06 37.01 3.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.342 1.457 . . . . 1.0 112.177 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -52.95 -19.5 2.65 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.574 1.694 . . . . 1.0 115.574 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -75.81 -21.09 57.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.681 1.593 . . . . 1.0 113.746 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.4 pt -130.93 -19.94 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.147 1.536 . . . . 1.0 115.147 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -123.12 149.6 44.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.567 1.547 . . . . 1.0 109.444 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -151.3 169.6 21.56 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.267 1.027 . . . . 1.0 111.633 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.38 -15.14 23.24 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.983 1.313 . . . . 1.0 114.187 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -143.2 10.47 1.71 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -162.26 142.81 10.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 119.921 -1.737 . . . . 1.0 112.693 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.05 114.67 24.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 1.0 108.542 173.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -73.79 -36.1 64.98 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.585 0.754 . . . . 1.0 112.964 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.1 t -55.66 -43.35 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.973 0.909 . . . . 1.0 111.142 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -97.05 2.67 51.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.289 1.436 . . . . 1.0 112.649 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 38.5 55.63 1.85 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.21 2.604 . . . . 1.0 112.601 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.54 143.32 43.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.791 1.236 . . . . 1.0 112.826 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.39 148.56 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.821 1.248 . . . . 1.0 109.561 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.0 mt -125.33 72.49 1.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.812 2.445 . . . . 1.0 108.414 -175.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -14.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 116.896 2.184 . . . . 1.0 116.896 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -152.68 158.57 42.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.07 1.348 . . . . 1.0 110.879 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -57.19 -35.66 69.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.112 0.965 . . . . 1.0 112.523 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -62.09 -39.67 93.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.834 1.197 . . . . 1.0 112.165 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -69.12 -41.21 77.67 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.674 -0.641 . . . . 1.0 110.41 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -59.96 -47.6 85.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.963 0.801 . . . . 1.0 111.121 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.38 -41.67 98.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.951 1.3 . . . . 1.0 111.459 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.17 71.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.618 0.645 . . . . 1.0 112.3 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.11 -51.31 67.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.703 0.683 . . . . 1.0 112.445 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -66.49 -19.25 65.74 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -100.21 -5.49 27.57 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.636 1.174 . . . . 1.0 112.565 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 t -67.26 142.75 56.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.46 1.104 . . . . 1.0 112.99 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.8 mmt-85 -65.01 -32.36 74.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.855 0.862 . . . . 1.0 111.234 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -65.3 -45.29 84.97 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.032 0.933 . . . . 1.0 110.96 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.015 0.926 . . . . 1.0 110.912 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.29 86.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.765 0.654 . . . . 1.0 112.765 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -63.92 -43.58 95.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.722 -0.611 . . . . 1.0 110.879 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -60.35 -43.81 96.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.689 0.796 . . . . 1.0 111.368 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.92 -44.13 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.288 1.035 . . . . 1.0 110.782 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.0 ttp-105 -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.373 0.988 . . . . 1.0 111.822 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -65.67 -48.37 72.32 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.86 0.864 . . . . 1.0 111.02 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.81 -46.25 84.95 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.879 0.872 . . . . 1.0 112.038 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.3 mmt -59.86 -38.6 82.58 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.861 0.864 . . . . 1.0 112.099 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.45 -38.3 81.0 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.272 0.629 . . . . 1.0 112.061 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.71 -37.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.979 1.312 . . . . 1.0 111.143 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.32 47.31 0.12 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.419 2.288 . . . . 1.0 114.103 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -132.69 0.02 3.54 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.012 1.725 . . . . 1.0 113.54 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.87 -179.71 48.8 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.792 1.187 . . . . 1.0 113.324 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -151.76 156.71 40.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.995 1.318 . . . . 1.0 111.531 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.24 -179.92 3.59 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.399 1.48 . . . . 1.0 112.63 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -65.71 141.23 58.42 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.634 -1.292 . . . . 1.0 112.611 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -139.16 138.66 21.22 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 126.354 1.862 . . . . 1.0 108.381 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -64.38 -11.71 29.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.189 2.592 . . . . 1.0 116.232 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.83 36.75 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 128.285 2.634 . . . . 1.0 114.982 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -52.86 -44.47 66.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.94 2.496 . . . . 1.0 114.631 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -146.48 162.72 37.68 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.683 1.993 . . . . 1.0 111.472 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -154.92 155.93 35.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.318 1.447 . . . . 1.0 111.922 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -155.61 -35.58 0.09 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.235 1.414 . . . . 1.0 114.505 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.56 164.48 34.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 1.0 111.608 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.58 153.34 65.18 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 125.222 1.409 . . . . 1.0 111.902 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.54 -7.22 19.29 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 124.241 3.294 . . . . 1.0 114.222 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.95 158.46 43.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.682 1.593 . . . . 1.0 111.722 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -95.86 3.01 54.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.4 mm -56.88 122.29 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.987 0.915 . . . . 1.0 110.676 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 m -136.83 -5.5 1.93 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.409 1.263 . . . . 1.0 114.409 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -136.93 15.09 3.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.603 1.561 . . . . 1.0 112.912 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.35 -177.96 50.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.877 1.227 . . . . 1.0 114.451 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -126.66 12.99 7.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.423 1.489 . . . . 1.0 112.437 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -69.88 151.13 46.03 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.4 1.48 . . . . 1.0 113.177 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -58.26 -27.52 64.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.768 1.227 . . . . 1.0 113.209 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p -72.81 -7.8 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.658 1.183 . . . . 1.0 114.19 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -129.76 -23.05 2.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.738 1.384 . . . . 1.0 114.738 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.79 163.94 37.42 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.27 1.395 . . . . 1.0 114.501 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -136.22 108.15 9.56 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 125.204 1.402 . . . . 1.0 110.493 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.22 -19.46 25.85 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.144 2.562 . . . . 1.0 114.236 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.5 -41.58 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.272 0.942 . . . . 1.0 109.968 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 57.2 m -95.59 -16.7 21.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.957 1.303 . . . . 1.0 113.36 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.79 56.23 4.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.762 2.425 . . . . 1.0 111.346 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.8 mtm -135.13 167.19 21.43 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.572 1.549 . . . . 1.0 112.723 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.4 p -126.65 159.28 34.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.301 1.84 . . . . 1.0 111.262 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -131.11 144.96 51.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.356 1.462 . . . . 1.0 111.107 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.5 p -69.2 -39.64 78.51 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.302 1.223 . . . . 1.0 114.302 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.3 t -139.77 149.38 59.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.596 1.558 . . . . 1.0 111.959 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.39 -37.75 25.73 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 124.094 3.196 . . . . 1.0 114.856 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.29 -35.65 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 119.106 0.866 . . . . 1.0 112.039 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.08 -41.51 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.779 0.831 . . . . 1.0 109.689 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.72 91.01 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.188 0.595 . . . . 1.0 111.529 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.44 -43.29 93.16 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.542 -0.724 . . . . 1.0 110.609 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.4 m -63.45 -40.01 96.0 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.111 0.964 . . . . 1.0 111.802 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.44 -50.54 69.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.713 0.805 . . . . 1.0 111.683 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -61.17 -14.79 27.63 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.2 1.555 . . . . 1.0 115.2 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.74 1.53 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.933 1.293 . . . . 1.0 113.334 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.08 170.02 14.84 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.879 1.228 . . . . 1.0 114.635 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.62 -29.99 64.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.554 1.141 . . . . 1.0 113.943 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.5 m -53.21 -44.18 67.81 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.403 1.081 . . . . 1.0 111.889 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.49 -46.04 64.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.047 0.539 . . . . 1.0 111.545 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.86 -40.59 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.841 1.257 . . . . 1.0 112.462 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -57.95 -36.88 73.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.236 1.014 . . . . 1.0 111.103 174.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -78.8 -29.89 45.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 118.09 -0.957 . . . . 1.0 112.724 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.72 -49.95 71.66 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.479 1.49 . . . . 1.0 109.495 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.59 -35.56 80.92 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.611 1.164 . . . . 1.0 112.256 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -49.8 73.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.549 0.74 . . . . 1.0 110.92 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -68.12 -37.94 81.67 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.484 0.714 . . . . 1.0 112.255 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.02 -36.75 85.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.764 1.625 . . . . 1.0 112.53 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--O 1.239 0.502 0 C-N-CA 125.978 1.711 . . . . 1.0 110.243 -179.581 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.035 0 N-CA-C 114.541 1.311 . . . . 1.0 114.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.7 -17.91 61.5 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.667 1.587 . . . . 1.0 114.727 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -144.15 147.49 33.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.02 1.328 . . . . 1.0 112.511 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -152.2 30.72 0.55 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.745 1.218 . . . . 1.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.9 0.42 48.35 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.901 1.238 . . . . 1.0 114.733 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -74.25 166.25 23.78 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.066 1.347 . . . . 1.0 112.379 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.81 -27.94 45.5 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 116.06 1.184 . . . . 1.0 116.06 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -79.29 -6.08 55.9 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.38 139.03 54.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.142 0.977 . . . . 1.0 112.394 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -159.11 137.93 11.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.474 1.51 . . . . 1.0 110.544 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -122.82 7.05 9.35 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.466 1.506 . . . . 1.0 113.038 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -77.41 156.93 80.94 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.544 1.938 . . . . 1.0 112.829 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.34 167.05 23.34 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.62 2.88 . . . . 1.0 111.131 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.08 22.76 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 122.386 1.088 . . . . 1.0 113.68 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.75 167.13 32.29 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.299 1.428 . . . . 1.0 112.773 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -56.07 -37.5 69.38 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.4 -44.89 95.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.339 0.655 . . . . 1.0 111.664 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.55 80.25 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.148 0.579 . . . . 1.0 111.332 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.78 -43.08 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.353 0.661 . . . . 1.0 110.68 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.93 -47.18 86.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.792 0.837 . . . . 1.0 111.353 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.6 m -63.97 -42.03 97.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.226 0.466 . . . . 1.0 111.643 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.97 -43.23 95.23 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.388 1.075 . . . . 1.0 111.375 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.13 -47.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.063 0.945 . . . . 1.0 110.007 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.33 -47.13 84.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.254 1.021 . . . . 1.0 112.496 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.14 -14.11 61.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -131.42 35.24 3.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.252 1.421 . . . . 1.0 112.622 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -53.43 -22.45 7.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.128 1.529 . . . . 1.0 115.128 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -74.01 -12.68 60.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.078 1.751 . . . . 1.0 113.936 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.33 -24.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.041 1.497 . . . . 1.0 115.041 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -120.18 150.74 40.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.989 1.316 . . . . 1.0 110.042 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.8 p -154.06 169.1 24.32 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.395 1.078 . . . . 1.0 112.022 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.09 -19.34 43.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.228 1.411 . . . . 1.0 114.085 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.6 p -134.68 3.08 3.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.893 1.812 . . . . 1.0 115.893 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -161.96 144.84 11.79 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 1.0 113.327 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.14 114.91 24.38 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.163 1.385 . . . . 1.0 109.115 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -78.78 -32.04 46.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.7 -32.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 118.996 0.816 . . . . 1.0 111.269 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -108.45 9.12 27.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.017 1.327 . . . . 1.0 112.568 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m 34.96 55.45 0.74 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.427 2.691 . . . . 1.0 113.804 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.09 144.76 43.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.364 1.066 . . . . 1.0 113.287 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 t -91.21 148.48 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.8 1.24 . . . . 1.0 109.228 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 mt -130.35 67.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.459 2.304 . . . . 1.0 108.574 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 pt -63.33 -9.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -137.64 150.13 47.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.265 1.426 . . . . 1.0 110.951 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.13 -37.95 75.6 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.675 -0.641 . . . . 1.0 112.268 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.2 p -60.07 -40.28 89.0 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.341 -0.849 . . . . 1.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.89 -45.09 87.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.086 0.554 . . . . 1.0 110.286 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -61.22 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.293 0.637 . . . . 1.0 111.448 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.45 -42.73 98.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.947 0.899 . . . . 1.0 111.877 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.71 -42.09 74.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.305 0.957 . . . . 1.0 112.176 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.92 -51.54 63.99 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.765 -0.584 . . . . 1.0 112.165 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -68.11 -17.9 64.5 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.162 1.171 . . . . 1.0 114.162 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.95 -8.32 28.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.485 1.114 . . . . 1.0 113.3 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -74.74 145.94 42.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.71 -27.87 69.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.519 1.127 . . . . 1.0 112.359 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -61.04 -43.03 99.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.766 0.826 . . . . 1.0 110.906 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -62.5 -46.2 89.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.885 0.874 . . . . 1.0 111.158 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.13 86.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.692 0.678 . . . . 1.0 112.427 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -63.59 -46.96 83.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.256 0.622 . . . . 1.0 111.331 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -62.88 -41.05 99.27 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.726 -0.609 . . . . 1.0 112.076 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.59 -42.43 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 118.717 -0.658 . . . . 1.0 110.45 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -57.02 -43.3 81.69 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.597 1.089 . . . . 1.0 111.71 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -66.47 -48.48 69.75 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.494 0.718 . . . . 1.0 111.167 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -58.1 -42.82 86.53 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.366 0.53 . . . . 1.0 112.398 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.52 -33.17 72.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.087 0.955 . . . . 1.0 112.838 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.61 -41.26 46.69 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.594 -0.691 . . . . 1.0 111.238 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.94 -42.07 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.309 1.444 . . . . 1.0 112.454 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -74.13 -4.91 38.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -56.29 133.4 52.62 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.733 1.213 . . . . 1.0 112.19 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 -164.86 35.11 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.36 0.981 . . . . 1.0 113.651 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -144.21 161.63 38.41 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.006 1.722 . . . . 1.0 111.428 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -141.11 21.74 2.26 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.926 1.084 . . . . 1.0 113.926 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.4 p -146.92 159.72 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.832 1.253 . . . . 1.0 112.599 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 p -155.06 138.85 11.15 Favored Pre-proline 0 N--CA 1.476 0.851 0 C-N-CA 125.435 1.494 . . . . 1.0 110.087 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.54 -8.42 20.55 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 123.239 2.626 . . . . 1.0 114.59 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 158.25 18.78 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.126 1.37 . . . . 1.0 113.897 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -150.93 153.98 36.28 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.991 1.717 . . . . 1.0 110.817 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -146.63 160.63 41.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.148 1.779 . . . . 1.0 111.593 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -144.31 173.63 11.6 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.675 1.59 . . . . 1.0 111.471 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -66.67 -32.94 74.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.224 1.01 . . . . 1.0 112.467 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.85 166.88 16.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.095 0.958 . . . . 1.0 112.659 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.77 70.31 13.62 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 125.004 1.322 . . . . 1.0 112.116 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 -10.75 18.48 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.14 3.227 . . . . 1.0 117.243 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.83 -10.62 0.9 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.961 1.837 . . . . 1.0 115.961 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -66.14 156.27 34.48 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.53 1.932 . . . . 1.0 112.165 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm -84.57 154.96 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.38 1.072 . . . . 1.0 110.881 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -116.42 28.23 8.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.754 1.622 . . . . 1.0 112.48 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -78.12 -7.72 57.36 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.799 1.64 . . . . 1.0 114.873 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.45 -2.85 86.58 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.985 1.279 . . . . 1.0 114.375 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -110.79 -34.03 6.37 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.195 1.398 . . . . 1.0 111.355 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -70.98 1.71 5.3 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.048 0.939 . . . . 1.0 112.767 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.3 ptt-85 -50.8 -22.15 2.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.764 2.026 . . . . 1.0 113.792 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.2 m -54.05 -24.41 17.11 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.779 1.632 . . . . 1.0 113.523 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -103.73 -33.4 8.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.65 1.18 . . . . 1.0 113.7 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.6 p -150.51 171.37 17.17 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.911 1.819 . . . . 1.0 115.911 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.0 t -135.94 91.96 16.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.127 1.771 . . . . 1.0 108.987 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.46 -18.31 49.27 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.893 2.395 . . . . 1.0 113.653 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.79 -35.69 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.008 . . . . 1.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.31 -7.88 14.78 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.555 1.542 . . . . 1.0 113.645 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.5 t30 55.35 59.63 3.83 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.061 2.944 . . . . 1.0 112.428 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 63.5 mtm -134.31 166.67 22.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.523 1.529 . . . . 1.0 112.311 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -128.49 158.64 37.83 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.23 1.812 . . . . 1.0 111.977 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -131.19 147.01 52.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.774 1.229 . . . . 1.0 112.894 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -84.58 -10.97 56.89 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.177 1.391 . . . . 1.0 114.29 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -156.38 149.67 18.75 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 125.381 1.472 . . . . 1.0 111.589 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.45 -29.43 85.11 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.913 2.409 . . . . 1.0 112.244 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.46 -39.82 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.307 -0.871 . . . . 1.0 110.53 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.95 -42.25 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.887 0.875 . . . . 1.0 109.868 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.74 68.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.269 0.628 . . . . 1.0 111.955 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.76 -42.01 96.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.609 -0.682 . . . . 1.0 111.442 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 t -59.72 -40.6 88.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.983 0.913 . . . . 1.0 111.543 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -66.64 -50.37 63.19 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.605 -0.684 . . . . 1.0 111.487 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -57.32 -34.06 68.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.351 1.241 . . . . 1.0 114.351 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -87.22 -7.32 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.223 0.919 . . . . 1.0 113.422 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.9 154.59 34.05 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.46 1.029 . . . . 1.0 114.002 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.77 -32.74 70.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.845 0.858 . . . . 1.0 113.297 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.4 m -57.3 -42.12 81.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.203 1.001 . . . . 1.0 111.603 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -68.12 -43.72 77.73 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.125 0.57 . . . . 1.0 111.147 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.92 -42.89 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.418 1.087 . . . . 1.0 111.041 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.61 -38.24 86.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.731 0.812 . . . . 1.0 111.29 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.35 -28.45 68.67 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 118.202 -0.904 . . . . 1.0 112.667 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 mt -57.23 -49.53 75.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.461 1.482 . . . . 1.0 109.733 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -63.11 -36.54 83.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.829 1.252 . . . . 1.0 112.056 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.97 -48.36 76.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.776 1.231 . . . . 1.0 111.19 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -65.5 -26.45 67.92 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.307 0.854 . . . . 1.0 113.307 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.12 -12.86 60.18 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 . . . . . 0 N--CA 1.473 0.706 0 CA-C-N 119.774 1.17 . . . . 1.0 112.087 179.028 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.705 0 CA-C-O 120.783 0.325 . . . . 1.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.07 -27.57 63.77 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.876 0.871 . . . . 1.0 113.219 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.12 -13.05 23.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.024 1.329 . . . . 1.0 113.272 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -134.23 14.83 3.83 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.852 2.061 . . . . 1.0 112.185 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.28 32.51 0.22 Allowed Glycine 0 CA--C 1.537 1.426 0 N-CA-C 115.934 1.134 . . . . 1.0 115.934 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -60.26 150.52 30.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.449 1.124 . . . . 1.0 112.514 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.7 171.29 44.37 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.869 1.223 . . . . 1.0 113.434 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.14 173.35 15.61 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.497 1.519 . . . . 1.0 111.272 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.34 -179.74 5.7 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.484 2.714 . . . . 1.0 110.124 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp -133.98 118.75 18.2 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.145 -0.972 . . . . 1.0 111.665 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.63 41.3 3.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.896 2.478 . . . . 1.0 110.36 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mt -132.39 162.23 58.25 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 127.811 2.445 . . . . 1.0 111.898 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.77 159.11 47.16 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.052 2.501 . . . . 1.0 110.836 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.17 30.23 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.099 0.959 . . . . 1.0 112.054 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.15 168.7 36.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 121.031 -1.043 . . . . 1.0 114.488 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.66 -43.1 75.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.805 1.642 . . . . 1.0 112.688 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -64.45 -44.56 90.73 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.525 0.73 . . . . 1.0 111.899 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.17 90.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.981 0.512 . . . . 1.0 111.629 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.64 -43.0 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 118.469 0.577 . . . . 1.0 110.502 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.82 -47.41 84.91 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.509 -0.744 . . . . 1.0 111.546 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -65.14 -40.2 94.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.018 0.527 . . . . 1.0 111.983 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.33 -43.33 99.05 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.033 0.933 . . . . 1.0 111.573 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.28 -48.42 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 123.833 0.853 . . . . 1.0 109.637 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.81 -46.72 84.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.713 1.205 . . . . 1.0 113.127 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.78 -14.65 62.05 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -131.15 35.88 3.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.272 1.429 . . . . 1.0 112.402 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -53.19 -19.81 3.39 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.572 1.693 . . . . 1.0 115.572 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -76.03 -20.47 57.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.674 1.589 . . . . 1.0 113.734 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.6 pt -130.93 -19.41 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -123.58 144.47 49.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.55 1.54 . . . . 1.0 109.044 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -145.85 172.72 12.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.892 0.877 . . . . 1.0 112.169 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.96 -16.3 50.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.048 1.339 . . . . 1.0 113.592 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -137.48 2.35 2.46 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.642 1.719 . . . . 1.0 115.642 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -159.9 147.24 16.56 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.787 1.63 . . . . 1.0 113.35 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.2 t -117.24 114.4 23.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.802 1.241 . . . . 1.0 108.179 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.07 -34.58 64.07 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.615 0.766 . . . . 1.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.8 t -55.55 -48.3 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.388 1.075 . . . . 1.0 110.835 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -93.13 2.83 56.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.051 1.34 . . . . 1.0 112.606 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t 38.44 55.92 1.81 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.527 2.731 . . . . 1.0 112.597 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 143.92 42.6 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 1.0 112.835 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.89 147.12 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.735 1.214 . . . . 1.0 109.469 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -123.34 71.69 1.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.705 2.402 . . . . 1.0 108.591 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.25 -7.79 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 117.523 2.416 . . . . 1.0 117.523 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -155.74 156.45 34.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.241 1.416 . . . . 1.0 110.835 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -59.11 -36.05 74.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.699 0.8 . . . . 1.0 112.639 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.7 p -63.16 -40.42 97.49 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.411 1.005 . . . . 1.0 111.705 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -67.22 -42.41 84.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.326 0.651 . . . . 1.0 110.543 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -60.83 -47.5 86.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.766 0.712 . . . . 1.0 111.067 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.09 -43.5 98.69 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.323 1.049 . . . . 1.0 111.408 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.57 81.97 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.874 0.761 . . . . 1.0 112.047 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -63.12 -51.34 66.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.243 0.617 . . . . 1.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.16 -18.24 64.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.347 1.24 . . . . 1.0 114.347 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.42 -10.43 23.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.185 0.994 . . . . 1.0 112.877 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -67.39 143.03 56.52 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.668 1.187 . . . . 1.0 113.578 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -61.0 -28.03 68.74 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.472 1.109 . . . . 1.0 112.499 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.03 -42.46 97.07 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.192 0.997 . . . . 1.0 111.295 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -59.77 -43.28 94.42 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.966 0.906 . . . . 1.0 112.337 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.268 0.94 . . . . 1.0 112.194 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -64.31 -42.09 96.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.385 0.674 . . . . 1.0 111.34 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.89 -43.01 97.29 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.396 0.678 . . . . 1.0 111.656 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.53 -45.38 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 1.0 110.3 175.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -57.54 -43.46 84.41 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.097 0.862 . . . . 1.0 111.92 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -66.67 -47.02 73.78 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.128 0.971 . . . . 1.0 111.441 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.69 -42.73 93.64 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.256 1.022 . . . . 1.0 111.985 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.4 -33.54 72.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.01 0.924 . . . . 1.0 112.191 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.23 60.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.675 0.79 . . . . 1.0 112.204 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.45 -29.59 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.447 1.499 . . . . 1.0 111.654 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.24 158.79 2.89 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.854 1.662 . . . . 1.0 113.611 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -48.41 129.47 15.87 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.903 1.681 . . . . 1.0 113.682 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.54 25.23 0.03 OUTLIER Glycine 0 CA--C 1.539 1.554 0 C-N-CA 125.453 1.501 . . . . 1.0 114.357 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.39 114.28 1.31 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.973 2.109 . . . . 1.0 113.867 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.76 161.03 29.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.946 1.298 . . . . 1.0 111.98 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.3 p -73.78 -23.37 59.69 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.224 1.194 . . . . 1.0 114.224 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.56 67.52 8.8 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.404 1.481 . . . . 1.0 111.843 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.19 3.35 5.24 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 124.272 3.314 . . . . 1.0 114.892 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 160.72 5.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.381 1.472 . . . . 1.0 114.083 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.43 -32.81 51.52 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.606 1.562 . . . . 1.0 113.972 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.22 62.74 2.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.176 1.79 . . . . 1.0 110.754 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.71 156.76 6.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.74 2.016 . . . . 1.0 113.562 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -103.98 5.79 35.74 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.34 1.978 . . . . 1.0 116.34 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.48 174.95 10.07 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.275 1.03 . . . . 1.0 112.891 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.73 155.38 44.84 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.681 1.592 . . . . 1.0 111.395 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -74.24 39.1 0.51 Allowed 'Trans proline' 0 CA--C 1.551 1.346 1 C-N-CA 125.398 4.065 . . . . 1.0 114.255 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.5 23.72 2.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.797 2.039 . . . . 1.0 111.716 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -60.22 -20.36 58.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.322 1.601 . . . . 1.0 115.322 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.84 -28.1 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 1.0 111.036 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.8 m -67.92 -10.5 53.82 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.833 1.049 . . . . 1.0 113.833 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -144.55 24.92 1.53 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.717 1.607 . . . . 1.0 112.272 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.77 -177.53 39.72 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 121.047 -1.033 . . . . 1.0 114.312 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.31 155.8 40.25 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.888 1.07 . . . . 1.0 113.888 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -80.16 172.46 13.75 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.757 1.223 . . . . 1.0 109.916 172.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 -6.99 -75.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 129.234 3.013 . . . . 1.0 115.487 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.9 p 37.8 -37.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 1 C-N-CA 133.371 4.668 . . . . 1.0 121.605 176.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -125.28 -14.08 6.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.615 2.766 . . . . 1.0 112.026 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 29.9 p -138.35 161.32 37.24 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.458 1.903 . . . . 1.0 111.017 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.8 t -144.98 89.51 6.49 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.131 1.372 . . . . 1.0 110.108 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.3 -19.7 43.63 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.575 2.183 . . . . 1.0 112.752 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.74 -27.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.455 1.502 . . . . 1.0 111.315 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -126.86 -5.5 6.27 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.835 1.654 . . . . 1.0 114.387 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.2 t30 56.13 56.85 5.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 129.248 3.019 . . . . 1.0 112.895 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.1 mtm -138.79 174.91 10.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.707 1.603 . . . . 1.0 112.615 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -132.06 162.88 29.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.778 1.631 . . . . 1.0 112.897 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -131.24 147.09 52.55 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.537 1.535 . . . . 1.0 112.51 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 p -79.35 -16.1 56.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.636 1.175 . . . . 1.0 113.838 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 t -159.0 149.02 15.25 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 125.631 1.572 . . . . 1.0 111.611 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -61.71 -22.35 74.19 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.901 2.401 . . . . 1.0 112.669 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.86 -39.81 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.325 -0.859 . . . . 1.0 109.973 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.33 -41.41 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.873 0.869 . . . . 1.0 109.954 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.17 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.487 0.715 . . . . 1.0 111.954 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.48 -43.05 88.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.846 0.858 . . . . 1.0 111.436 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -67.87 -37.06 81.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.134 0.574 . . . . 1.0 111.759 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.93 -42.54 97.32 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.473 -0.767 . . . . 1.0 112.37 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.64 -24.98 52.14 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.518 1.303 . . . . 1.0 114.518 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.47 3.17 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.758 1.223 . . . . 1.0 113.073 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.63 142.78 22.07 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.321 0.962 . . . . 1.0 110.911 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -51.49 -38.03 51.96 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.176 1.176 . . . . 1.0 114.176 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.6 m -57.5 -44.0 84.64 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.941 0.896 . . . . 1.0 111.731 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -70.1 -42.86 72.13 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.161 0.584 . . . . 1.0 111.153 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.67 -44.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.364 1.065 . . . . 1.0 111.532 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.15 -39.17 85.42 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.766 0.712 . . . . 1.0 111.208 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.31 -23.97 62.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 118.099 -0.953 . . . . 1.0 113.271 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.14 -50.2 74.31 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.675 1.579 . . . . 1.0 109.421 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -61.11 -40.23 92.98 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.56 1.544 . . . . 1.0 111.95 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.04 -41.03 97.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.785 0.834 . . . . 1.0 111.828 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -73.04 -41.7 63.92 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.211 1.004 . . . . 1.0 112.523 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.93 132.61 10.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 1.0 112.656 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 124.927 1.291 . . . . 1.0 112.392 177.458 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -77.13 -9.44 58.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.102 1.361 . . . . 1.0 113.756 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -142.54 24.14 1.92 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.385 1.874 . . . . 1.0 112.843 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -146.7 -179.93 7.12 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.676 1.99 . . . . 1.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.28 -169.17 28.54 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 120.975 -1.078 . . . . 1.0 114.75 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -59.58 163.83 3.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.14 1.376 . . . . 1.0 114.319 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.53 172.32 50.69 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.31 0.957 . . . . 1.0 113.849 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -151.59 -179.89 7.8 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.223 2.209 . . . . 1.0 109.145 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.44 157.27 2.91 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.733 -1.229 . . . . 1.0 112.59 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.42 92.36 1.85 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.295 1.045 . . . . 1.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -129.42 56.17 1.72 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.261 2.224 . . . . 1.0 108.377 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.13 152.32 80.44 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 1.0 110.868 -174.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 155.08 68.27 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.144 1.896 . . . . 1.0 109.81 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.2 t -134.89 115.13 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.14 0.976 . . . . 1.0 110.492 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.32 168.27 37.79 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.174 1.369 . . . . 1.0 114.69 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -57.64 -29.86 64.92 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.605 1.162 . . . . 1.0 114.027 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.96 -44.56 84.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.937 0.895 . . . . 1.0 112.083 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.5 82.03 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.708 -0.62 . . . . 1.0 110.951 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.1 -41.69 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.176 0.59 . . . . 1.0 110.451 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -60.21 -47.36 86.28 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.453 -0.779 . . . . 1.0 110.918 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -60.94 -44.34 97.38 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.833 0.453 . . . . 1.0 111.391 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.42 -45.02 95.1 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.909 1.284 . . . . 1.0 112.21 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.87 -45.93 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.045 0.938 . . . . 1.0 110.957 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -66.93 -30.64 70.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.517 1.127 . . . . 1.0 113.546 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.5 -14.36 46.22 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.863 0.865 . . . . 1.0 113.148 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -135.0 37.84 3.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.038 1.335 . . . . 1.0 112.698 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -57.87 -14.65 6.48 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.237 1.569 . . . . 1.0 115.237 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -76.01 -19.29 58.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.365 1.466 . . . . 1.0 113.027 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 pt -129.88 -19.03 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.479 1.511 . . . . 1.0 115.027 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -124.89 151.78 44.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.302 . . . . 1.0 110.093 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -155.08 170.16 22.43 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.168 0.987 . . . . 1.0 112.324 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.81 -20.44 50.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.072 1.349 . . . . 1.0 114.096 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -134.79 5.02 3.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -162.97 144.82 10.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.817 1.644 . . . . 1.0 113.331 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -117.17 117.08 28.61 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.259 1.423 . . . . 1.0 109.285 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -75.89 -37.59 58.68 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.629 0.974 . . . . 1.0 113.629 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.3 t -58.28 -37.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.849 0.749 . . . . 1.0 111.188 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.0 m -103.11 8.98 38.62 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.367 1.467 . . . . 1.0 112.346 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.6 p 32.35 54.38 0.34 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.129 2.971 . . . . 1.0 114.357 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.46 45.1 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.729 1.212 . . . . 1.0 113.373 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.85 149.17 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.186 1.395 . . . . 1.0 109.606 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.1 mt -125.46 74.19 1.37 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.28 2.232 . . . . 1.0 108.688 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 pt -54.82 -13.98 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 117.051 2.241 . . . . 1.0 117.051 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -154.46 158.11 39.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.46 1.504 . . . . 1.0 111.053 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.81 -37.79 71.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.653 0.781 . . . . 1.0 112.904 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.3 p -59.98 -37.62 80.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.522 1.056 . . . . 1.0 112.382 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -69.33 -44.3 71.96 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 1.0 109.802 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -60.3 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.408 0.683 . . . . 1.0 111.113 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.5 -42.97 99.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.033 0.933 . . . . 1.0 111.797 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.92 73.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.034 0.834 . . . . 1.0 112.388 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.99 -51.28 62.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.251 0.621 . . . . 1.0 112.204 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -66.3 -25.49 66.87 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.812 1.042 . . . . 1.0 113.812 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.36 -10.68 43.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -64.21 140.98 58.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.48 1.112 . . . . 1.0 113.815 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -62.86 -34.09 76.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.1 0.96 . . . . 1.0 111.384 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -64.26 -45.72 86.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.133 0.973 . . . . 1.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.0 -49.28 76.68 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.552 0.741 . . . . 1.0 110.546 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.63 87.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.919 0.487 . . . . 1.0 112.224 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.66 -47.1 86.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.558 0.743 . . . . 1.0 111.506 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.231 0.613 . . . . 1.0 111.989 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.73 -42.55 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.939 0.896 . . . . 1.0 111.073 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -57.34 -42.95 82.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.411 1.085 . . . . 1.0 111.422 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -67.23 -49.34 64.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.013 0.925 . . . . 1.0 111.141 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.41 -44.33 80.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.149 0.98 . . . . 1.0 112.565 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.2 mmt -58.88 -33.37 70.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.793 1.237 . . . . 1.0 112.576 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.55 32.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.524 0.729 . . . . 1.0 111.144 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.29 -40.51 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.776 1.23 . . . . 1.0 111.154 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.65 -17.76 16.52 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.071 1.748 . . . . 1.0 114.228 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -127.0 19.38 7.08 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.536 1.934 . . . . 1.0 112.435 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.93 41.91 0.6 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.039 1.78 . . . . 1.0 112.549 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.51 42.82 0.1 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 127.213 2.205 . . . . 1.0 113.558 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -71.17 164.31 25.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.616 1.566 . . . . 1.0 112.248 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -54.95 135.36 48.55 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.824 1.25 . . . . 1.0 112.594 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.67 129.91 82.67 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 124.115 0.966 . . . . 1.0 110.521 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -77.2 51.95 3.67 Favored 'Trans proline' 0 CA--C 1.55 1.294 0 C-N-CA 124.897 3.731 . . . . 1.0 112.083 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.19 155.82 16.61 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.441 1.496 . . . . 1.0 113.934 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -64.2 166.75 7.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.602 1.561 . . . . 1.0 113.918 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -72.58 68.24 0.81 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.553 1.941 . . . . 1.0 111.708 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -46.38 -27.81 1.17 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 116.214 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.19 -26.43 66.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.935 1.294 . . . . 1.0 113.351 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.22 161.09 30.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.491 1.116 . . . . 1.0 113.325 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.94 152.06 30.99 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.579 1.551 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.34 144.29 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.989 2.46 . . . . 1.0 112.242 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.57 -35.29 0.08 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.705 1.202 . . . . 1.0 113.662 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -143.49 164.12 31.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.431 1.893 . . . . 1.0 111.362 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.0 -25.58 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.952 1.301 . . . . 1.0 112.561 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.6 p -146.26 -64.31 0.3 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.114 1.366 . . . . 1.0 111.685 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -156.63 -34.09 0.08 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.273 2.229 . . . . 1.0 111.3 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.07 23.26 0.06 OUTLIER Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.914 1.245 . . . . 1.0 114.611 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -151.37 145.7 25.46 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.066 1.346 . . . . 1.0 111.119 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -74.32 63.93 1.07 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.73 1.612 . . . . 1.0 113.035 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -76.91 28.97 0.13 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.368 1.867 . . . . 1.0 114.042 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.7 p -77.67 -13.56 59.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.488 1.515 . . . . 1.0 113.934 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -132.27 -10.03 3.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.841 1.656 . . . . 1.0 114.572 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.83 152.27 40.04 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.215 1.406 . . . . 1.0 112.292 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 25.7 t -136.3 89.99 18.57 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 126.2 1.8 . . . . 1.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.86 -23.46 47.67 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.574 2.183 . . . . 1.0 112.71 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.21 -34.45 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.194 1.397 . . . . 1.0 111.251 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -118.82 -0.03 11.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.288 1.435 . . . . 1.0 114.107 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.309 0.9 OUTLIER 51.11 54.89 10.41 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 129.422 3.089 . . . . 1.0 114.092 -176.453 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.4 mtm -133.11 169.95 16.11 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.585 1.554 . . . . 1.0 112.659 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.9 p -131.75 159.52 38.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.969 1.708 . . . . 1.0 112.239 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.34 147.13 52.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.502 1.521 . . . . 1.0 112.599 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -77.85 -19.41 54.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.371 1.248 . . . . 1.0 114.371 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -160.23 158.51 26.04 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.887 1.675 . . . . 1.0 111.981 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.71 -30.12 91.35 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.458 2.772 . . . . 1.0 113.778 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.56 -38.09 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.487 -0.758 . . . . 1.0 110.637 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.13 -34.42 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.287 1.035 . . . . 1.0 110.765 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.06 72.81 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.395 -0.816 . . . . 1.0 109.584 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.06 -43.22 95.57 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.233 1.013 . . . . 1.0 112.467 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 p -60.1 -35.57 75.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.025 0.829 . . . . 1.0 112.181 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.98 -47.01 61.31 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.608 0.763 . . . . 1.0 111.058 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.61 -32.36 72.48 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.93 -4.77 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.481 1.037 . . . . 1.0 113.428 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.06 149.2 19.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.666 1.127 . . . . 1.0 113.354 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.47 -28.7 67.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.407 1.083 . . . . 1.0 113.882 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 m -54.44 -41.02 68.91 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.398 1.079 . . . . 1.0 112.07 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -69.0 -44.59 72.51 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.631 -0.668 . . . . 1.0 111.081 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.45 -37.9 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.723 1.209 . . . . 1.0 112.182 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -59.48 -40.93 88.57 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.281 -0.887 . . . . 1.0 110.449 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.02 -34.64 73.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 118.219 -0.896 . . . . 1.0 112.037 175.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.1 mt -54.51 -48.68 71.62 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.324 1.42 . . . . 1.0 110.275 174.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -61.23 -37.35 82.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.728 1.211 . . . . 1.0 112.929 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.56 -35.85 77.97 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.461 0.704 . . . . 1.0 111.989 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -78.1 -37.74 45.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.621 1.168 . . . . 1.0 112.811 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -153.52 129.97 10.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.612 1.165 . . . . 1.0 112.165 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 125.13 1.372 . . . . 1.0 112.408 178.261 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.764 0 CA-C-O 121.149 0.499 . . . . 1.0 111.66 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.15 -36.29 0.42 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.021 1.328 . . . . 1.0 112.119 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -66.34 -15.65 63.43 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.953 1.701 . . . . 1.0 113.333 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -74.99 -5.89 46.4 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.002 1.721 . . . . 1.0 113.464 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.48 -160.95 9.91 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.487 1.518 . . . . 1.0 113.717 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -143.8 164.93 29.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.179 1.392 . . . . 1.0 111.246 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.72 -24.78 0.07 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.454 1.502 . . . . 1.0 114.187 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.6 -17.36 62.29 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.751 1.22 . . . . 1.0 113.757 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 165.31 7.06 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.27 1.428 . . . . 1.0 113.919 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -147.72 -179.79 7.14 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.939 2.096 . . . . 1.0 110.498 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -68.47 17.31 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.288 2.235 . . . . 1.0 115.099 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.27 152.33 66.71 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.05 2.14 . . . . 1.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.5 158.53 57.26 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.394 2.063 . . . . 1.0 110.501 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -140.65 25.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-O 122.485 1.136 . . . . 1.0 113.391 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.91 168.8 38.0 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.161 1.362 . . . . 1.0 112.792 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -55.98 -43.02 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.814 0.846 . . . . 1.0 112.911 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.76 -41.99 98.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.085 0.954 . . . . 1.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -43.76 77.97 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.057 0.543 . . . . 1.0 111.378 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.71 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.419 0.554 . . . . 1.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.11 -46.96 88.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.483 -0.761 . . . . 1.0 111.053 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.0 m -58.73 -44.04 90.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.139 0.576 . . . . 1.0 111.597 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.34 -41.45 93.62 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.86 1.264 . . . . 1.0 111.883 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.747 0.819 . . . . 1.0 109.888 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -45.67 82.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.598 1.159 . . . . 1.0 112.325 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.66 -14.42 62.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.093 1.146 . . . . 1.0 114.093 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -132.2 36.35 3.64 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.06 1.344 . . . . 1.0 112.68 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -54.42 -18.32 4.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -76.12 -15.4 60.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.852 1.661 . . . . 1.0 113.839 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.39 -21.57 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.443 1.497 . . . . 1.0 114.633 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -120.0 153.68 35.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.482 1.513 . . . . 1.0 110.313 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.0 p -156.14 169.98 23.25 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.544 1.138 . . . . 1.0 111.041 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.97 -10.46 49.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.63 0.98 3.33 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.345 1.609 . . . . 1.0 115.345 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -163.5 146.15 9.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.421 1.464 . . . . 1.0 113.42 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.17 114.68 24.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.179 1.392 . . . . 1.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -76.63 -32.5 58.06 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.11 -37.64 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.389 0.995 . . . . 1.0 111.037 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.7 m -100.22 6.07 44.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 1.0 112.463 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m 36.65 53.61 1.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.671 2.788 . . . . 1.0 113.53 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.19 146.46 44.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.519 1.127 . . . . 1.0 113.384 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -88.03 148.36 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.139 1.376 . . . . 1.0 109.69 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.05 77.22 1.44 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.396 2.279 . . . . 1.0 108.02 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -51.2 -20.52 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 117.096 2.258 . . . . 1.0 117.096 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 t -156.27 171.16 20.68 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.889 1.275 . . . . 1.0 111.377 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.75 -42.29 79.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.136 0.974 . . . . 1.0 111.666 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.518 1.053 . . . . 1.0 112.633 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -65.69 -42.45 91.19 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.815 -0.553 . . . . 1.0 110.327 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -60.63 -47.42 86.29 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.437 0.562 . . . . 1.0 111.185 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.22 -44.57 95.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.567 1.147 . . . . 1.0 111.804 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.84 -42.64 76.88 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.641 0.655 . . . . 1.0 112.407 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -63.56 -51.18 66.51 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.206 0.602 . . . . 1.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.22 -26.87 66.81 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.043 1.127 . . . . 1.0 114.043 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.6 -11.35 51.7 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.958 0.799 . . . . 1.0 113.139 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -67.91 140.88 56.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.072 1.138 . . . . 1.0 114.072 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -63.53 -32.8 74.37 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.11 . . . . 1.0 111.838 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.94 -45.34 92.91 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.236 1.015 . . . . 1.0 111.168 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.28 -49.46 75.57 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.741 0.817 . . . . 1.0 110.678 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.52 88.09 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.522 0.564 . . . . 1.0 112.522 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.707 -0.621 . . . . 1.0 111.657 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -63.33 -41.92 98.92 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.453 -0.779 . . . . 1.0 111.643 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.96 -42.99 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.815 0.846 . . . . 1.0 110.463 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.23 -43.38 87.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.17 0.895 . . . . 1.0 111.358 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -47.17 79.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.485 1.114 . . . . 1.0 110.814 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.7 -44.27 96.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.588 1.155 . . . . 1.0 112.193 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.61 -35.87 77.2 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 1.0 111.98 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.03 -4.74 14.31 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.895 1.072 . . . . 1.0 113.895 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.7 mt -116.68 5.0 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 C-N-CA 127.009 2.124 . . . . 1.0 110.57 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -65.24 3.36 0.65 Allowed 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 116.658 2.096 . . . . 1.0 116.658 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -56.54 149.74 16.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.741 1.616 . . . . 1.0 112.75 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -157.74 -157.63 8.53 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.033 1.302 . . . . 1.0 113.519 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -56.41 153.79 9.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.986 1.714 . . . . 1.0 113.215 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -72.54 48.49 0.19 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.599 2.36 . . . . 1.0 113.882 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -149.45 144.46 26.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.102 1.761 . . . . 1.0 110.773 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.2 p -152.57 136.99 10.53 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 124.717 1.207 . . . . 1.0 110.987 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.3 7.94 3.5 Favored 'Trans proline' 0 CA--C 1.546 1.122 0 C-N-CA 123.975 3.116 . . . . 1.0 114.807 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.81 41.21 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 127.176 2.191 . . . . 1.0 115.348 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -136.27 156.95 47.92 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.624 1.97 . . . . 1.0 111.33 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -148.57 158.19 43.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.726 1.61 . . . . 1.0 111.39 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -143.57 165.22 28.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.953 1.701 . . . . 1.0 111.563 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.79 137.14 58.23 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.827 1.251 . . . . 1.0 113.179 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.89 165.42 36.15 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.905 1.682 . . . . 1.0 111.192 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.88 149.71 26.04 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.748 1.219 . . . . 1.0 112.06 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.24 169.79 21.75 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.743 2.962 . . . . 1.0 112.761 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.05 155.38 41.42 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.441 1.496 . . . . 1.0 111.523 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -142.43 6.93 1.71 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.481 1.112 . . . . 1.0 113.324 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.22 34.83 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.326 1.451 . . . . 1.0 111.607 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -57.77 -21.68 42.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.966 1.706 . . . . 1.0 114.284 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.85 -27.86 69.16 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.045 1.338 . . . . 1.0 112.761 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.03 53.25 Favored Glycine 0 CA--C 1.54 1.604 0 N-CA-C 116.559 1.384 . . . . 1.0 116.559 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -141.46 21.19 2.21 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 119.168 1.484 . . . . 1.0 113.209 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -63.55 113.03 3.06 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.854 -1.154 . . . . 1.0 111.484 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -54.73 -31.13 57.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.19 1.396 . . . . 1.0 114.357 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.1 m -75.31 -6.24 48.88 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -129.7 -17.82 3.57 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.693 1.597 . . . . 1.0 114.256 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.3 p -150.0 165.34 32.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.878 1.436 . . . . 1.0 114.878 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.7 t -139.75 90.6 10.98 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.359 1.864 . . . . 1.0 109.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.33 -19.02 50.26 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.484 2.122 . . . . 1.0 113.299 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.4 -22.14 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.831 1.252 . . . . 1.0 111.712 176.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.1 m -127.35 -8.35 5.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.015 1.726 . . . . 1.0 113.672 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.9 m120 57.21 56.79 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 129.085 2.954 . . . . 1.0 112.9 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 68.8 mtm -135.57 171.0 15.07 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.601 1.56 . . . . 1.0 112.456 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -127.56 159.45 34.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.595 1.558 . . . . 1.0 113.512 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -131.3 147.26 52.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.472 1.909 . . . . 1.0 112.398 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 p -78.26 -34.28 49.12 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.76 1.022 . . . . 1.0 113.76 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.2 m -145.52 158.56 50.25 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.94 1.296 . . . . 1.0 113.056 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -50.7 -40.85 55.81 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.106 3.204 . . . . 1.0 115.303 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.14 -37.34 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 1.0 111.704 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.47 -37.87 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.785 0.834 . . . . 1.0 110.754 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.43 84.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.88 0.472 . . . . 1.0 111.084 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.25 -43.4 98.94 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.811 -0.555 . . . . 1.0 111.648 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.7 m -60.92 -37.19 81.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 1.0 112.078 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -69.13 -47.76 64.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.723 -0.61 . . . . 1.0 111.053 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -57.6 -33.17 67.93 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.423 1.268 . . . . 1.0 114.423 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -84.61 -5.0 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 113.339 0.866 . . . . 1.0 113.339 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.25 150.73 23.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.668 1.127 . . . . 1.0 113.313 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -58.44 -31.57 67.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.7 m -58.52 -42.22 87.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.088 0.955 . . . . 1.0 111.367 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.03 -45.68 66.66 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.705 -0.622 . . . . 1.0 110.923 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.73 -39.08 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.404 1.082 . . . . 1.0 111.801 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.2 ttmt -59.39 -45.47 91.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.371 -0.831 . . . . 1.0 110.206 174.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -64.25 -34.0 77.11 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 117.809 -1.091 . . . . 1.0 112.686 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.74 -44.41 77.52 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.741 1.61 . . . . 1.0 111.116 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -70.0 -43.46 71.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.418 1.087 . . . . 1.0 111.932 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.72 -36.6 84.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.812 0.845 . . . . 1.0 112.513 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -85.59 -8.1 58.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.782 1.633 . . . . 1.0 113.305 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 53.57 42.63 31.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.508 1.923 . . . . 1.0 111.836 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 125.471 1.508 . . . . 1.0 111.121 -176.794 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.79 -23.81 1.2 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.843 2.057 . . . . 1.0 116.147 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.05 -16.28 62.59 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.376 1.25 . . . . 1.0 114.376 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -150.22 -30.81 0.21 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.533 1.679 . . . . 1.0 115.533 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.98 22.59 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.358 0.981 . . . . 1.0 113.719 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -50.79 127.73 19.1 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.574 1.15 . . . . 1.0 112.921 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.24 52.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.735 1.159 . . . . 1.0 112.406 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.97 -21.07 63.15 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 127.5 32.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.03 1.332 . . . . 1.0 113.386 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tt -78.45 100.58 6.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.26 1.424 . . . . 1.0 109.673 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -127.62 28.28 5.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.871 1.668 . . . . 1.0 111.861 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.79 141.6 85.01 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 125.686 1.594 . . . . 1.0 111.777 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.89 156.7 59.91 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.483 2.122 . . . . 1.0 110.316 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -137.32 115.7 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.236 1.014 . . . . 1.0 110.27 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 171.98 48.62 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.857 1.218 . . . . 1.0 115.281 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.71 -42.72 75.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.96 1.704 . . . . 1.0 113.553 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.15 -49.01 77.54 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.607 0.763 . . . . 1.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.36 96.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.955 0.502 . . . . 1.0 111.926 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.28 -42.94 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 119.032 -0.509 . . . . 1.0 110.91 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -62.16 -47.7 83.35 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.536 1.062 . . . . 1.0 110.919 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -58.14 -43.97 87.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.368 0.985 . . . . 1.0 111.746 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -58.97 -43.41 91.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.214 1.006 . . . . 1.0 111.878 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.38 -48.68 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.807 0.843 . . . . 1.0 110.627 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -58.41 -44.08 88.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.313 1.045 . . . . 1.0 112.598 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.06 -15.16 60.64 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -131.62 39.42 3.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.853 1.261 . . . . 1.0 112.799 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -55.17 -17.82 4.87 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.102 1.519 . . . . 1.0 115.102 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -76.8 -15.5 59.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.955 1.702 . . . . 1.0 113.774 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.0 pt -134.5 -22.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.14 152.13 40.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.111 1.364 . . . . 1.0 109.875 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -153.99 172.21 17.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.038 0.935 . . . . 1.0 112.093 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.12 -21.21 61.28 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.177 1.177 . . . . 1.0 114.177 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 p -135.7 6.23 3.19 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.026 1.861 . . . . 1.0 116.026 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -161.73 144.94 12.22 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.447 1.476 . . . . 1.0 113.21 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -117.01 115.02 24.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.179 1.392 . . . . 1.0 108.807 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -77.14 -34.45 56.55 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.624 0.972 . . . . 1.0 113.624 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -58.25 -39.15 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.723 0.809 . . . . 1.0 111.161 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -100.64 5.13 43.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.021 1.328 . . . . 1.0 112.487 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 36.47 56.55 1.1 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 128.636 2.774 . . . . 1.0 113.061 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 145.19 43.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.764 1.226 . . . . 1.0 112.97 -176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 t -90.47 148.75 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.69 1.196 . . . . 1.0 109.269 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -130.54 71.65 1.47 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.359 2.264 . . . . 1.0 108.479 -175.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.4 pt -66.53 2.08 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 116.052 1.871 . . . . 1.0 116.052 -174.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -147.97 148.58 30.91 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.638 1.575 . . . . 1.0 110.599 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.73 -34.95 73.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.707 -0.62 . . . . 1.0 111.69 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 m -63.67 -39.04 93.34 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.34 0.973 . . . . 1.0 111.631 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -64.83 -45.07 87.71 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.886 -0.509 . . . . 1.0 110.23 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -60.37 -47.46 85.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.458 0.703 . . . . 1.0 111.237 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.85 -43.27 99.18 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.334 1.054 . . . . 1.0 112.153 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.18 73.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.0 0.818 . . . . 1.0 112.306 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.01 -51.4 64.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.385 0.674 . . . . 1.0 112.278 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -66.93 -25.96 66.61 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -86.63 -14.61 42.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.087 0.858 . . . . 1.0 113.282 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -64.16 140.15 58.84 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.802 1.038 . . . . 1.0 113.802 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.74 -31.69 73.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.019 0.927 . . . . 1.0 111.286 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -63.39 -41.57 98.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.19 0.996 . . . . 1.0 111.23 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -63.7 -49.26 73.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.723 0.809 . . . . 1.0 109.872 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.34 81.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.785 0.661 . . . . 1.0 112.785 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.49 -45.18 92.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.573 -0.705 . . . . 1.0 111.306 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.6 -41.48 96.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.11 0.564 . . . . 1.0 111.614 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.13 -41.54 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.744 0.702 . . . . 1.0 110.87 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.33 -43.15 96.67 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.373 0.988 . . . . 1.0 111.184 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -65.05 -42.56 94.12 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.078 0.551 . . . . 1.0 111.481 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -63.79 -44.75 92.42 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.602 0.761 . . . . 1.0 111.638 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.54 -31.82 69.76 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.02 -1.05 . . . . 1.0 112.228 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.78 -3.79 30.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.652 1.181 . . . . 1.0 113.679 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.7 mt -119.28 -30.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.469 2.308 . . . . 1.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.96 146.94 5.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.57 2.348 . . . . 1.0 113.118 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -117.0 8.92 13.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.914 1.686 . . . . 1.0 113.437 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.94 52.54 1.67 Allowed Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.336 1.922 . . . . 1.0 114.491 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.51 -19.86 27.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.735 1.614 . . . . 1.0 114.474 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -73.27 -4.68 34.63 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.568 1.147 . . . . 1.0 113.549 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.0 m -121.75 20.68 10.92 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.934 1.694 . . . . 1.0 114.259 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -74.28 154.88 88.17 Favored Pre-proline 0 N--CA 1.482 1.172 0 O-C-N 121.13 -0.981 . . . . 1.0 113.036 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -58.34 -9.42 6.67 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 124.854 3.703 . . . . 1.0 117.725 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.58 45.23 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.848 2.059 . . . . 1.0 114.924 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -129.41 5.8 5.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.056 2.143 . . . . 1.0 113.278 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -140.59 130.1 24.04 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.016 2.126 . . . . 1.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -134.95 8.41 3.5 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.699 1.37 . . . . 1.0 114.699 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -144.68 147.32 32.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.255 1.822 . . . . 1.0 110.729 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.14 175.89 13.46 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.0 1.72 . . . . 1.0 111.562 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.26 98.25 Favored Pre-proline 0 CA--C 1.556 1.205 0 N-CA-C 116.258 1.948 . . . . 1.0 116.258 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.4 170.23 20.71 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 122.47 2.113 . . . . 1.0 112.96 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.57 17.53 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.498 1.519 . . . . 1.0 111.795 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.28 153.25 31.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.068 1.136 . . . . 1.0 114.068 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 56.3 mt -135.41 111.99 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.471 1.908 . . . . 1.0 107.415 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.3 p -69.76 -13.39 62.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.793 1.775 . . . . 1.0 115.793 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -140.28 56.26 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.424 1.49 . . . . 1.0 111.773 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.11 -176.98 35.7 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.853 1.216 . . . . 1.0 113.341 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.58 -24.59 14.23 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.271 1.428 . . . . 1.0 113.853 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.71 -28.02 60.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.71 1.204 . . . . 1.0 113.107 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -68.18 -24.1 64.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.769 0.827 . . . . 1.0 113.04 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -73.28 40.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.768 2.027 . . . . 1.0 113.883 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -134.56 -15.11 2.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.147 2.179 . . . . 1.0 113.651 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -146.64 144.95 29.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.906 1.282 . . . . 1.0 111.733 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 37.2 t -129.66 90.91 42.14 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.846 2.058 . . . . 1.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.62 -24.08 56.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.979 2.453 . . . . 1.0 113.024 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.67 -33.14 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.153 1.381 . . . . 1.0 111.226 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.0 m -114.85 -1.86 13.07 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.314 1.846 . . . . 1.0 114.344 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 50.39 57.57 6.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.77 2.828 . . . . 1.0 112.79 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.4 ptm -149.25 168.94 21.93 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.529 1.532 . . . . 1.0 112.774 -176.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 53.6 p -126.74 168.48 14.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.824 1.649 . . . . 1.0 112.774 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -131.09 147.0 52.56 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.151 1.38 . . . . 1.0 112.446 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 p -78.81 -19.85 51.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.562 1.145 . . . . 1.0 113.953 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -158.73 146.56 13.56 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.523 1.529 . . . . 1.0 111.513 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.6 -29.91 26.64 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.865 3.043 . . . . 1.0 114.647 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.83 -37.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.213 1.005 . . . . 1.0 111.236 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.4 t -72.97 -41.04 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.0 0.92 . . . . 1.0 109.871 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.93 67.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.709 0.804 . . . . 1.0 112.238 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.85 -41.61 98.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.529 -0.732 . . . . 1.0 112.009 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.8 m -59.76 -38.3 81.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.015 0.926 . . . . 1.0 111.945 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -68.24 -49.83 58.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.692 0.797 . . . . 1.0 110.859 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -58.94 -38.61 79.4 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.57 -8.81 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.63 162.24 23.26 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.834 1.206 . . . . 1.0 114.32 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.03 -30.37 66.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.64 1.176 . . . . 1.0 113.541 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.3 m -53.91 -44.45 70.57 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.916 1.286 . . . . 1.0 112.544 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.62 -45.13 65.8 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.019 0.528 . . . . 1.0 111.513 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.82 -34.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.04 1.336 . . . . 1.0 112.051 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.99 -38.4 73.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.277 1.031 . . . . 1.0 110.969 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.68 -34.2 46.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.789 -1.101 . . . . 1.0 111.752 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 -46.01 76.28 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.745 1.611 . . . . 1.0 110.021 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.77 -41.62 87.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.708 1.603 . . . . 1.0 112.354 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.34 -38.37 74.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.563 1.145 . . . . 1.0 112.545 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -73.2 -30.4 63.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.88 1.672 . . . . 1.0 113.56 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.98 16.44 20.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.411 1.485 . . . . 1.0 113.392 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 127.518 2.327 . . . . 1.0 114.246 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 115.686 1.736 . . . . 1.0 115.686 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.86 154.96 33.3 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.447 1.021 . . . . 1.0 111.418 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.59 -39.29 76.45 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.762 -1.211 . . . . 1.0 112.845 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -155.44 -1.71 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.613 1.708 . . . . 1.0 115.613 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -10.76 61.98 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 118.218 2.047 . . . . 1.0 118.218 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -149.29 166.9 27.55 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.658 2.229 . . . . 1.0 115.881 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.97 -179.35 42.91 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 128.768 3.08 . . . . 1.0 110.351 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -44.1 0.08 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.884 1.809 . . . . 1.0 115.884 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.3 172.14 8.73 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 tp -129.93 117.87 20.79 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.735 2.014 . . . . 1.0 108.922 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -138.97 74.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.195 1.798 . . . . 1.0 107.5 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -44.63 118.9 3.53 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 125.419 1.488 . . . . 1.0 113.274 -174.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 89.7 Cg_exo -48.92 166.86 0.14 Allowed 'Trans proline' 0 C--N 1.354 0.825 1 C-N-CA 126.568 4.845 . . . . 1.0 119.319 -175.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -144.16 19.77 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.693 1.997 . . . . 1.0 111.68 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 168.54 30.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.763 2.125 . . . . 1.0 112.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.83 -37.4 68.66 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.969 1.1 . . . . 1.0 113.969 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.85 -46.31 84.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.284 0.634 . . . . 1.0 111.684 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 119.066 -0.492 . . . . 1.0 111.935 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.1 -42.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.356 0.98 . . . . 1.0 110.279 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -58.47 -46.88 85.72 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.578 0.751 . . . . 1.0 111.153 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m -63.63 -38.67 91.99 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.147 0.579 . . . . 1.0 112.03 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.46 -44.95 95.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.782 0.833 . . . . 1.0 111.096 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.38 -43.28 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.902 0.881 . . . . 1.0 109.778 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -57.8 -47.6 82.12 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.226 0.921 . . . . 1.0 112.093 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -73.57 -14.18 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.57 1.148 . . . . 1.0 113.818 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -132.67 30.56 4.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.034 1.334 . . . . 1.0 112.445 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -54.49 -21.16 9.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.81 -12.21 60.13 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.591 1.956 . . . . 1.0 113.705 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.9 pt -138.37 -20.29 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.842 1.657 . . . . 1.0 114.963 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -119.85 153.13 36.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.954 1.701 . . . . 1.0 109.876 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -155.35 171.55 19.69 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.447 1.099 . . . . 1.0 112.159 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -59.67 -18.45 42.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.681 1.192 . . . . 1.0 114.075 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -133.81 1.72 3.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.116 1.895 . . . . 1.0 116.116 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -162.38 144.86 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.827 1.649 . . . . 1.0 113.714 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -117.13 114.7 24.07 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.298 1.439 . . . . 1.0 109.137 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -78.96 -27.54 43.52 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.1 -40.7 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.317 0.962 . . . . 1.0 110.966 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' SG ' ' HE3' ' A' ' 61' ' ' LYS . 62.0 m -99.38 6.4 46.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.34 1.456 . . . . 1.0 112.15 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 m 37.47 56.87 1.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.555 2.742 . . . . 1.0 113.467 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.96 145.27 43.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.278 1.031 . . . . 1.0 113.606 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.53 147.68 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.031 1.332 . . . . 1.0 109.13 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -125.69 73.11 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.868 2.067 . . . . 1.0 109.295 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 pt -55.79 -14.32 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 116.873 2.175 . . . . 1.0 116.873 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -152.46 158.54 42.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.966 1.306 . . . . 1.0 111.127 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.99 -37.48 71.71 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.784 0.833 . . . . 1.0 112.441 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.5 p -59.94 -37.67 80.2 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 1.0 112.516 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.35 -44.99 67.0 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.393 0.677 . . . . 1.0 109.716 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.98 -47.44 85.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.64 0.776 . . . . 1.0 111.294 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.08 -54.76 42.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.043 0.937 . . . . 1.0 110.812 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.68 91.61 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.206 0.817 . . . . 1.0 113.206 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -66.49 -51.36 57.58 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.459 0.572 . . . . 1.0 112.206 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -69.5 -31.18 69.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.431 0.9 . . . . 1.0 113.431 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -73.86 -29.11 61.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.755 0.822 . . . . 1.0 112.411 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 t -57.49 138.83 54.68 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.546 1.684 . . . . 1.0 115.546 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -27.86 68.18 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.517 1.127 . . . . 1.0 111.726 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.97 -40.19 83.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.816 1.246 . . . . 1.0 111.207 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.35 -48.75 78.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.591 0.756 . . . . 1.0 108.97 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.93 76.02 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.579 0.585 . . . . 1.0 112.579 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -62.83 -47.18 84.51 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.391 -0.818 . . . . 1.0 111.182 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HE3' ' SG ' ' A' ' 39' ' ' CYS . 46.7 mtmt -62.6 -40.54 97.27 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.366 0.666 . . . . 1.0 111.353 176.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.92 -45.17 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.798 0.839 . . . . 1.0 111.45 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 -59.53 -43.09 93.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.371 0.987 . . . . 1.0 111.465 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -65.1 -46.56 80.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.895 0.878 . . . . 1.0 111.26 175.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.277 1.031 . . . . 1.0 112.477 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 mmt -57.81 -31.72 66.86 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 1.0 112.642 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.23 -1.18 39.54 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.727 1.211 . . . . 1.0 113.896 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.89 -29.21 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.45 1.9 . . . . 1.0 111.868 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -55.87 157.85 4.1 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.32 1.848 . . . . 1.0 113.786 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.62 140.11 36.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.929 1.692 . . . . 1.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.94 -36.63 0.46 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.177 1.37 . . . . 1.0 113.424 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.86 25.81 3.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.951 1.7 . . . . 1.0 111.944 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -139.83 44.73 1.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.811 1.645 . . . . 1.0 111.714 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.7 p -140.22 169.45 17.66 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.067 1.747 . . . . 1.0 112.158 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.34 151.84 70.2 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 125.328 1.451 . . . . 1.0 112.13 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.65 -0.72 10.91 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.032 3.155 . . . . 1.0 114.534 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.24 155.21 11.83 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.119 1.367 . . . . 1.0 114.174 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -132.82 26.29 4.32 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.855 1.662 . . . . 1.0 112.891 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.14 -37.86 88.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.846 1.658 . . . . 1.0 113.068 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -72.48 170.04 15.15 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.78 1.632 . . . . 1.0 113.676 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -61.11 165.4 4.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.231 1.413 . . . . 1.0 113.785 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.27 178.43 7.3 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.626 1.57 . . . . 1.0 112.21 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.39 162.38 45.23 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.704 1.602 . . . . 1.0 111.845 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -53.32 159.08 6.38 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.313 3.342 . . . . 1.0 115.537 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.17 29.78 2.22 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.33 1.852 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -128.34 168.59 15.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.322 2.249 . . . . 1.0 111.091 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.84 119.61 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.354 1.062 . . . . 1.0 110.715 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -139.37 15.23 2.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.606 1.562 . . . . 1.0 112.656 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.59 18.1 3.1 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.255 1.822 . . . . 1.0 114.171 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.44 161.73 31.91 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.162 0.887 . . . . 1.0 114.072 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -91.12 -4.58 56.09 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.117 1.367 . . . . 1.0 114.282 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.15 -19.02 2.58 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.376 1.87 . . . . 1.0 115.747 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.5 35.16 3.43 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.494 1.918 . . . . 1.0 112.76 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.0 p -107.98 -20.25 13.24 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -136.77 -7.33 1.89 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.846 1.425 . . . . 1.0 114.846 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.8 t -149.95 155.54 40.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 1.0 112.212 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.8 t -139.55 89.18 12.03 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 1.0 110.012 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.48 -25.97 76.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.348 2.699 . . . . 1.0 114.219 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.47 -26.06 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.922 1.289 . . . . 1.0 111.945 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 85.5 m -122.42 -9.92 8.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.023 1.729 . . . . 1.0 113.483 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 55.9 56.19 6.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.913 2.885 . . . . 1.0 112.501 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -135.93 166.55 23.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.887 1.675 . . . . 1.0 111.886 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -127.26 157.94 38.51 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.574 1.55 . . . . 1.0 113.069 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -131.45 147.46 52.55 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.635 1.974 . . . . 1.0 112.08 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -71.68 -39.17 70.42 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -142.28 158.14 61.7 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.296 1.439 . . . . 1.0 113.363 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.06 -36.88 93.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.902 3.068 . . . . 1.0 115.01 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.21 -32.98 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 119.543 1.065 . . . . 1.0 111.549 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.91 -40.84 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.499 -0.751 . . . . 1.0 109.349 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.93 -47.54 84.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.18 0.592 . . . . 1.0 110.99 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -59.36 -43.29 92.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.296 -0.877 . . . . 1.0 111.473 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.6 m -60.44 -36.73 78.9 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.091 0.956 . . . . 1.0 111.899 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -70.91 -50.35 35.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.064 0.546 . . . . 1.0 111.286 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -56.17 -36.07 67.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -85.53 -7.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.65 158.76 29.97 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.68 1.133 . . . . 1.0 114.271 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.16 -32.64 70.08 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.14 0.976 . . . . 1.0 113.596 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.0 m -56.29 -42.01 76.82 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.346 1.058 . . . . 1.0 111.883 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -68.33 -46.14 71.01 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.432 0.693 . . . . 1.0 111.118 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.89 -43.85 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.077 1.351 . . . . 1.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -60.5 -42.02 95.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.116 0.966 . . . . 1.0 110.973 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -63.62 -30.85 71.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 117.952 -1.023 . . . . 1.0 113.025 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.43 -43.22 79.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.422 1.465 . . . . 1.0 110.563 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.72 -42.04 91.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.477 1.111 . . . . 1.0 111.282 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.23 -39.2 93.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.375 0.67 . . . . 1.0 112.175 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -68.61 -38.97 81.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.704 0.684 . . . . 1.0 111.484 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.6 -39.9 84.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.989 0.916 . . . . 1.0 112.057 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.905 1.682 . . . . 1.0 110.417 179.592 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 113.936 1.087 . . . . 1.0 113.936 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.19 -16.86 59.76 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.385 1.074 . . . . 1.0 112.842 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -150.03 164.42 35.58 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.642 1.977 . . . . 1.0 111.404 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -144.53 -39.96 0.27 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.309 1.044 . . . . 1.0 113.398 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.33 29.09 0.16 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.177 1.37 . . . . 1.0 112.815 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.12 147.97 52.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.133 2.173 . . . . 1.0 112.886 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.76 168.92 29.68 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.655 1.121 . . . . 1.0 113.671 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.26 154.24 28.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.664 1.586 . . . . 1.0 111.844 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.63 143.96 32.71 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.084 0.954 . . . . 1.0 112.216 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' A' ' 13' ' ' LEU . 23.5 tp -156.6 148.65 23.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.743 1.617 . . . . 1.0 109.876 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.16 20.97 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.314 1.846 . . . . 1.0 112.661 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 9.1 mp -116.58 152.95 48.88 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 127.231 2.212 . . . . 1.0 110.209 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -70.64 155.38 63.13 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.863 2.375 . . . . 1.0 110.472 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.53 119.3 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.938 0.895 . . . . 1.0 111.107 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 162.58 38.41 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.498 1.523 . . . . 1.0 115.087 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -56.7 -35.73 68.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.36 1.464 . . . . 1.0 113.432 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.53 -47.05 80.27 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.687 0.795 . . . . 1.0 111.734 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.75 98.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.101 0.561 . . . . 1.0 111.334 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.04 -44.39 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.256 0.622 . . . . 1.0 110.912 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -60.15 -41.02 91.86 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.404 -0.81 . . . . 1.0 112.411 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -42.9 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.415 0.552 . . . . 1.0 111.278 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.82 -44.28 90.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.575 1.15 . . . . 1.0 112.137 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.45 -44.9 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.925 0.89 . . . . 1.0 110.305 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -65.47 -43.25 90.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.093 0.957 . . . . 1.0 113.362 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.27 -15.01 62.85 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.147 0.979 . . . . 1.0 113.563 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -134.28 38.02 3.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.09 1.356 . . . . 1.0 112.795 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -51.13 -27.49 8.61 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.57 1.322 . . . . 1.0 114.57 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -65.08 -20.05 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.813 1.645 . . . . 1.0 113.871 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.1 pt -131.3 -18.33 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.206 1.558 . . . . 1.0 115.206 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -124.29 151.6 44.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.559 1.144 . . . . 1.0 110.826 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -152.29 166.63 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.268 1.027 . . . . 1.0 111.301 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -52.93 -19.05 2.29 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.2 p -138.3 11.29 2.79 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -163.46 142.62 8.28 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.875 1.67 . . . . 1.0 114.262 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -117.51 118.03 31.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.737 1.615 . . . . 1.0 110.599 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -76.26 -40.05 52.85 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.773 1.027 . . . . 1.0 113.773 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.27 -38.13 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 1.0 111.803 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.29 4.13 43.92 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.595 1.158 . . . . 1.0 111.861 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 37.38 58.52 1.26 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.895 2.878 . . . . 1.0 113.229 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.14 148.27 46.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.726 1.21 . . . . 1.0 113.168 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.43 145.46 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.894 1.278 . . . . 1.0 108.811 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -123.7 75.03 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.309 2.244 . . . . 1.0 108.906 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 pt -65.36 1.79 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 127.141 2.176 . . . . 1.0 116.186 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -155.5 148.79 24.82 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.346 1.458 . . . . 1.0 110.575 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.84 -39.21 91.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.085 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 p -62.5 -37.87 87.71 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.05 1.295 . . . . 1.0 111.839 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -66.86 -42.48 85.59 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.978 0.911 . . . . 1.0 110.38 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -61.88 -47.8 83.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 1.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.656 0.782 . . . . 1.0 111.702 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -42.52 82.12 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.691 0.678 . . . . 1.0 111.929 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -63.93 -51.47 64.31 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.808 -0.557 . . . . 1.0 111.968 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -64.48 -18.97 65.27 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.278 1.214 . . . . 1.0 114.278 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -99.99 -8.06 24.36 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.546 1.138 . . . . 1.0 113.115 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.09 142.51 56.62 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.358 1.063 . . . . 1.0 113.785 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.79 -37.28 81.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.981 1.312 . . . . 1.0 111.594 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.92 -45.1 78.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.088 0.955 . . . . 1.0 110.944 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -59.81 -49.12 78.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.707 0.803 . . . . 1.0 110.719 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.66 85.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.028 0.531 . . . . 1.0 112.363 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.93 -47.22 81.36 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.621 -0.674 . . . . 1.0 111.926 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.72 -43.76 98.24 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.735 0.698 . . . . 1.0 111.483 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.94 -45.52 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.633 0.773 . . . . 1.0 112.38 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -60.89 -37.66 82.97 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.9 1.227 . . . . 1.0 111.664 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -67.16 -43.35 82.46 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.609 0.763 . . . . 1.0 111.28 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.52 -40.31 92.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 1.0 112.902 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.9 mmt -58.62 -27.94 65.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.014 0.926 . . . . 1.0 112.349 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.19 10.4 17.03 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.41 1.484 . . . . 1.0 112.942 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.0 mt -131.16 -46.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.255 1.822 . . . . 1.0 112.065 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -150.52 164.76 35.18 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.039 1.125 . . . . 1.0 114.039 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -155.14 176.54 12.42 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.242 2.217 . . . . 1.0 111.694 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.9 -173.06 32.14 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.46 1.029 . . . . 1.0 113.733 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.02 -39.81 0.07 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.94 1.089 . . . . 1.0 113.94 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.6 72.02 1.41 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.484 1.513 . . . . 1.0 114.179 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -154.94 -179.7 8.3 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.625 1.57 . . . . 1.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 10.4 p -130.23 130.89 23.12 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.103 1.761 . . . . 1.0 111.401 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 75' ' ' VAL . 23.4 Cg_exo -63.41 -36.78 53.29 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.515 2.81 . . . . 1.0 114.255 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.76 -179.92 5.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.771 1.628 . . . . 1.0 113.11 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -129.0 164.54 22.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.967 1.707 . . . . 1.0 109.967 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.506 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -142.51 40.74 1.58 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.585 1.154 . . . . 1.0 112.236 -179.196 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.14 160.01 3.12 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.919 1.288 . . . . 1.0 112.788 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -138.27 149.33 45.6 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.235 1.414 . . . . 1.0 112.499 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.83 177.44 11.39 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.34 1.856 . . . . 1.0 111.043 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.581 ' H ' ' HD2' ' A' ' 84' ' ' PRO . . . -137.46 -50.57 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 CA-C-O 117.356 -1.307 . . . . 1.0 114.386 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.581 ' HD2' ' H ' ' A' ' 83' ' ' ALA . 93.4 Cg_endo -74.1 154.96 47.47 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.114 1.791 . . . . 1.0 112.035 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -155.85 166.92 32.04 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.343 1.457 . . . . 1.0 111.663 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.01 3.17 24.01 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.28 1.032 . . . . 1.0 113.42 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.17 131.82 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.672 1.989 . . . . 1.0 108.313 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.1 m -127.32 12.99 7.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.159 1.384 . . . . 1.0 113.646 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -128.54 10.73 6.18 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.98 1.712 . . . . 1.0 112.433 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.8 -175.24 46.41 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.256 1.407 . . . . 1.0 113.444 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -142.35 38.17 1.54 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.198 1.799 . . . . 1.0 109.714 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -38.24 -46.69 1.1 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.562 2.745 . . . . 1.0 117.488 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -128.61 112.16 13.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.218 1.407 . . . . 1.0 109.373 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 p -160.47 -12.23 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.151 2.278 . . . . 1.0 117.151 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -131.76 -22.82 2.34 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.609 1.707 . . . . 1.0 115.609 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.59 170.2 19.72 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.244 1.018 . . . . 1.0 113.342 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 41.1 t -145.55 98.87 4.52 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.993 1.717 . . . . 1.0 109.136 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.72 -24.81 24.85 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.551 2.167 . . . . 1.0 113.352 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.75 -37.88 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.338 1.055 . . . . 1.0 110.935 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 -5.74 17.97 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.693 1.597 . . . . 1.0 113.722 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.0 t30 54.68 61.73 2.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 129.268 3.027 . . . . 1.0 113.514 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.4 mtm -138.61 168.04 20.65 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.008 1.323 . . . . 1.0 113.458 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 p -131.71 153.88 49.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.88 2.072 . . . . 1.0 110.997 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.089 1.356 . . . . 1.0 112.59 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.2 p -79.89 -15.57 57.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.882 1.438 . . . . 1.0 114.882 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 162.44 27.51 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 124.601 1.161 . . . . 1.0 112.142 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.09 -28.57 65.49 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.467 2.112 . . . . 1.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.88 -39.24 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.08 0.854 . . . . 1.0 110.11 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.19 -41.06 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.83 66.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.402 0.681 . . . . 1.0 111.176 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.458 0.703 . . . . 1.0 111.994 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.4 m -59.46 -35.98 75.11 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.984 0.811 . . . . 1.0 111.663 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -74.85 -50.58 16.55 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.476 -0.765 . . . . 1.0 111.433 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.94 -41.05 90.98 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.831 1.419 . . . . 1.0 114.831 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.72 -15.71 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.022 0.828 . . . . 1.0 113.23 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.24 154.83 43.22 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.747 0.689 . . . . 1.0 113.53 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -60.02 -26.8 66.37 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.717 0.807 . . . . 1.0 112.586 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -56.86 -43.17 80.93 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.463 1.505 . . . . 1.0 112.345 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.5 -42.43 78.62 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.538 -0.726 . . . . 1.0 110.842 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.77 -41.58 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.467 1.107 . . . . 1.0 111.43 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.93 -36.73 80.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.884 0.874 . . . . 1.0 111.511 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -67.86 -27.94 67.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 118.644 -0.693 . . . . 1.0 112.09 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.45 -52.24 66.05 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.224 1.374 . . . . 1.0 109.198 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -36.24 71.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.521 1.129 . . . . 1.0 112.289 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.29 -42.1 99.05 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.993 0.917 . . . . 1.0 111.941 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.93 -27.41 49.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.508 1.123 . . . . 1.0 113.284 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -74.92 51.04 0.48 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.681 1.992 . . . . 1.0 112.628 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 126.008 1.723 . . . . 1.0 111.565 -178.75 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 114.578 1.325 . . . . 1.0 114.578 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.35 -8.76 58.2 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.095 1.758 . . . . 1.0 113.91 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.29 133.05 55.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.944 1.297 . . . . 1.0 112.63 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -155.42 168.21 27.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.642 1.577 . . . . 1.0 110.806 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.7 170.1 42.87 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 1.0 113.618 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -147.62 163.27 37.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.604 1.162 . . . . 1.0 112.525 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.06 178.16 40.29 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.327 1.441 . . . . 1.0 112.758 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -151.77 166.47 31.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.937 1.295 . . . . 1.0 112.591 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.03 133.63 17.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.761 1.224 . . . . 1.0 110.985 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -154.49 123.95 6.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.904 1.681 . . . . 1.0 108.351 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -134.71 26.39 3.68 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.07 1.348 . . . . 1.0 111.933 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.8 mt -54.8 123.26 45.09 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.599 1.16 . . . . 1.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -76.71 178.77 7.18 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.416 3.411 . . . . 1.0 111.853 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.78 21.4 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.341 1.056 . . . . 1.0 113.712 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.44 167.88 31.46 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.34 1.448 . . . . 1.0 112.887 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -55.84 -40.2 72.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.801 1.037 . . . . 1.0 113.801 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.97 -44.19 91.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.569 0.622 . . . . 1.0 111.459 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.58 75.09 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.401 0.681 . . . . 1.0 111.714 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.34 -46.38 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.475 1.034 . . . . 1.0 110.622 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.25 -40.68 96.99 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.545 -0.722 . . . . 1.0 111.059 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -65.03 -44.13 90.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.246 0.618 . . . . 1.0 111.534 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.63 -42.56 97.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.174 1.39 . . . . 1.0 111.139 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.93 -49.19 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.246 1.018 . . . . 1.0 109.944 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -59.56 -45.97 90.26 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.924 0.89 . . . . 1.0 113.022 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.15 -16.38 63.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.671 1.188 . . . . 1.0 113.908 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -130.19 31.41 4.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.554 1.541 . . . . 1.0 111.677 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.32 -14.35 1.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.389 1.996 . . . . 1.0 116.389 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -81.82 -14.9 55.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.078 1.751 . . . . 1.0 113.533 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.6 pt -135.77 -21.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.666 1.586 . . . . 1.0 114.776 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -119.96 147.68 44.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.939 1.696 . . . . 1.0 108.849 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -151.61 168.52 24.71 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.961 0.904 . . . . 1.0 112.453 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.34 -19.69 62.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.277 1.431 . . . . 1.0 114.112 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.3 p -132.08 1.78 3.91 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.426 1.639 . . . . 1.0 115.426 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -162.49 147.07 12.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.018 1.281 . . . . 1.0 112.573 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.06 114.71 24.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -77.34 -33.56 55.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.59 -39.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.861 0.755 . . . . 1.0 110.996 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.91 -1.16 53.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.029 1.332 . . . . 1.0 112.654 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.4 m 40.42 55.53 2.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.817 2.447 . . . . 1.0 112.607 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.39 143.4 43.98 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.904 1.281 . . . . 1.0 112.631 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.8 t -87.97 146.36 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.752 1.221 . . . . 1.0 109.913 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.02 73.93 1.0 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.148 2.179 . . . . 1.0 108.275 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 pt -52.37 -17.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 117.075 2.25 . . . . 1.0 117.075 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t -154.92 161.45 41.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.371 1.468 . . . . 1.0 110.469 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.3 -39.03 74.91 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.539 -0.726 . . . . 1.0 111.855 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -59.01 -42.86 91.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.626 1.103 . . . . 1.0 112.18 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.86 -41.9 95.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.372 1.069 . . . . 1.0 110.72 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -61.86 -47.62 84.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.91 0.884 . . . . 1.0 111.024 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.69 -42.43 98.92 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.54 1.136 . . . . 1.0 111.339 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.358 0.527 . . . . 1.0 112.323 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -61.64 -51.51 68.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.806 0.669 . . . . 1.0 112.806 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.68 -22.87 66.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.709 1.003 . . . . 1.0 113.709 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -92.38 -13.59 29.91 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.354 1.062 . . . . 1.0 113.495 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 144.31 53.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.379 1.072 . . . . 1.0 113.462 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -60.05 -28.08 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.481 1.112 . . . . 1.0 112.422 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.14 -38.95 84.65 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.611 1.164 . . . . 1.0 111.533 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -65.42 -44.99 85.65 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.837 0.855 . . . . 1.0 110.897 176.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.24 91.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.828 0.74 . . . . 1.0 112.156 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -61.21 -46.84 88.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.623 -0.673 . . . . 1.0 111.508 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -62.68 -42.95 99.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.917 0.887 . . . . 1.0 111.746 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.49 -44.25 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.67 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -57.93 -43.49 86.32 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.303 1.41 . . . . 1.0 111.701 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -60.55 -52.11 66.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.233 1.013 . . . . 1.0 110.919 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -61.94 -39.61 92.7 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.024 0.75 . . . . 1.0 113.024 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.3 mmt -66.27 -41.6 89.67 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.297 -0.877 . . . . 1.0 111.018 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.27 53.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.77 1.228 . . . . 1.0 114.063 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.58 -39.41 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.359 1.063 . . . . 1.0 109.328 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -88.79 -57.92 2.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.306 1.042 . . . . 1.0 110.906 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -153.2 130.19 11.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.023 1.329 . . . . 1.0 111.049 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.88 -150.34 17.67 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.696 1.141 . . . . 1.0 112.5 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -116.11 130.78 56.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.366 1.466 . . . . 1.0 110.488 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -154.61 156.95 37.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.288 1.035 . . . . 1.0 111.638 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.7 m -75.0 -6.21 48.13 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.825 1.417 . . . . 1.0 114.825 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.83 96.81 14.4 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.071 1.348 . . . . 1.0 111.314 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -70.65 -14.06 32.96 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.936 2.424 . . . . 1.0 112.934 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.89 -3.36 15.54 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.328 1.451 . . . . 1.0 113.895 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -47.95 -11.31 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 128.663 2.785 . . . . 1.0 117.846 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -48.65 -29.31 4.23 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.3 2.24 . . . . 1.0 114.654 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -64.35 -14.79 58.36 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.17 1.174 . . . . 1.0 114.17 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -125.72 28.37 6.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.884 2.074 . . . . 1.0 111.859 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.76 178.25 7.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.028 1.731 . . . . 1.0 111.491 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.74 160.7 49.52 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.969 1.308 . . . . 1.0 112.322 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.32 160.39 6.72 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 124.353 3.369 . . . . 1.0 115.344 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.13 174.26 11.21 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.859 1.664 . . . . 1.0 111.656 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -136.42 162.94 31.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.369 1.468 . . . . 1.0 112.034 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.05 131.71 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.752 1.221 . . . . 1.0 110.503 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.5 t -56.74 -31.23 64.35 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.356 1.613 . . . . 1.0 115.356 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.55 6.66 5.23 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.288 1.218 . . . . 1.0 114.288 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.15 33.35 64.56 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.619 1.104 . . . . 1.0 115.434 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.41 32.1 3.39 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.778 1.231 . . . . 1.0 112.969 -176.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.16 131.77 48.43 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.804 -1.185 . . . . 1.0 111.697 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.53 -8.71 16.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.426 1.491 . . . . 1.0 113.892 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.1 m -75.58 58.3 1.04 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.729 2.012 . . . . 1.0 111.213 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -137.16 -18.91 1.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.087 1.755 . . . . 1.0 114.777 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 42.2 t -143.67 158.85 43.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.287 1.435 . . . . 1.0 111.932 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.7 t -141.59 88.4 9.73 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 125.385 1.474 . . . . 1.0 110.636 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.35 -27.58 85.36 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.574 2.849 . . . . 1.0 114.255 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.8 t -59.02 -33.92 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.656 1.182 . . . . 1.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.5 m -112.18 -8.71 13.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.463 1.505 . . . . 1.0 113.507 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.78 56.84 5.14 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 128.853 2.861 . . . . 1.0 112.319 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -136.92 167.57 21.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.494 1.518 . . . . 1.0 112.47 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -131.68 162.39 30.54 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.237 1.815 . . . . 1.0 110.971 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.14 146.83 52.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.338 1.055 . . . . 1.0 112.641 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -81.41 -11.71 59.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.156 1.382 . . . . 1.0 114.315 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 t -154.09 146.19 17.16 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 125.374 1.47 . . . . 1.0 111.471 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.6 -23.6 70.16 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.771 2.314 . . . . 1.0 112.504 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.29 -38.43 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.836 0.854 . . . . 1.0 110.37 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.04 -42.98 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.772 0.829 . . . . 1.0 109.786 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.34 59.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.068 0.947 . . . . 1.0 112.538 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -39.54 90.64 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.544 -0.723 . . . . 1.0 112.502 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.4 m -64.36 -40.12 95.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.683 0.793 . . . . 1.0 111.504 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.78 -47.89 81.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.477 0.711 . . . . 1.0 111.832 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.72 -16.17 5.91 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.36 2.78 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.209 1.404 . . . . 1.0 113.226 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.62 158.13 26.02 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.735 1.16 . . . . 1.0 112.897 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.62 -30.03 69.59 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 1.0 113.889 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.4 m -56.65 -40.85 76.18 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.055 0.942 . . . . 1.0 111.494 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -70.08 -44.2 69.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.751 0.82 . . . . 1.0 110.725 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.84 -40.17 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.842 1.257 . . . . 1.0 112.052 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.77 -34.61 73.22 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.158 -0.964 . . . . 1.0 111.339 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -75.06 -28.5 60.39 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 118.54 -0.743 . . . . 1.0 111.932 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.01 -43.7 86.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.986 1.266 . . . . 1.0 109.272 172.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -57.04 -30.35 64.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.515 1.126 . . . . 1.0 113.171 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.22 -26.99 65.34 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.204 0.911 . . . . 1.0 112.501 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -95.35 -41.6 8.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.354 1.461 . . . . 1.0 111.487 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -72.63 -20.83 61.2 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.212 1.189 . . . . 1.0 114.212 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.75 1.62 . . . . 1.0 110.632 -178.476 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -137.11 6.43 2.84 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.906 1.283 . . . . 1.0 113.542 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.94 -7.85 56.32 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.807 1.41 . . . . 1.0 114.807 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -74.61 155.3 37.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.773 1.229 . . . . 1.0 112.777 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.32 162.72 35.43 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.271 1.415 . . . . 1.0 112.76 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -158.22 175.58 13.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.93 1.692 . . . . 1.0 111.464 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 37.64 31.66 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.607 0.622 . . . . 1.0 113.58 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -136.69 170.09 16.64 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.101 1.76 . . . . 1.0 113.002 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.45 172.52 12.83 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.609 1.564 . . . . 1.0 112.177 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 tp -152.41 149.39 28.55 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.097 1.759 . . . . 1.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -75.25 9.47 2.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.074 1.75 . . . . 1.0 113.879 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -138.4 157.67 72.01 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 129.448 3.099 . . . . 1.0 108.295 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -61.09 146.04 98.15 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 121.692 1.595 . . . . 1.0 110.573 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p -143.97 27.81 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 122.447 1.118 . . . . 1.0 112.863 -176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.93 168.48 41.19 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.849 1.214 . . . . 1.0 113.248 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -59.41 -43.71 92.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.296 1.038 . . . . 1.0 112.331 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.07 -40.66 91.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.688 1.195 . . . . 1.0 112.225 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.85 92.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.76 0.424 . . . . 1.0 111.362 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.34 -43.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.351 0.523 . . . . 1.0 110.835 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.81 -46.29 87.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.576 -0.702 . . . . 1.0 111.429 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -65.39 -40.44 93.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.448 0.699 . . . . 1.0 111.808 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.63 -41.4 97.43 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.217 -0.927 . . . . 1.0 111.797 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.93 -44.72 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.966 0.906 . . . . 1.0 109.619 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -59.44 -42.46 91.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.939 1.295 . . . . 1.0 112.469 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.23 -18.52 61.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.464 1.105 . . . . 1.0 113.626 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -133.67 35.62 3.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.842 1.257 . . . . 1.0 113.377 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -57.42 -13.43 3.51 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.467 1.654 . . . . 1.0 115.467 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -78.37 -19.27 53.73 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.527 1.531 . . . . 1.0 113.175 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.1 pt -131.24 -19.81 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.59 1.556 . . . . 1.0 114.914 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -120.82 151.38 39.68 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.457 1.503 . . . . 1.0 109.189 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -155.27 170.88 20.84 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.057 0.943 . . . . 1.0 112.073 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.58 -19.09 56.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.695 1.198 . . . . 1.0 114.146 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -134.67 2.16 3.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.07 145.98 12.22 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.782 1.628 . . . . 1.0 113.566 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.24 116.09 26.57 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.362 1.465 . . . . 1.0 109.201 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.96 -36.54 64.6 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.22 -40.82 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.763 0.825 . . . . 1.0 111.347 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -100.26 4.81 44.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.154 1.382 . . . . 1.0 112.395 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t 36.3 55.54 1.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.805 2.842 . . . . 1.0 112.995 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.04 145.12 43.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.808 1.243 . . . . 1.0 113.137 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.3 t -87.85 147.79 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.002 1.321 . . . . 1.0 109.611 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.15 75.96 1.27 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.46 2.304 . . . . 1.0 108.766 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 pt -54.52 -16.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 117.092 2.256 . . . . 1.0 117.092 -174.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 t -154.84 159.9 40.87 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.083 1.353 . . . . 1.0 110.925 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.13 -36.83 73.52 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.848 0.859 . . . . 1.0 112.58 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 p -61.97 -40.78 96.77 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.454 1.024 . . . . 1.0 111.907 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.84 -42.39 81.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 1.0 110.485 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -59.86 -47.59 85.12 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.728 0.695 . . . . 1.0 110.925 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.9 -51.52 68.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.42 1.088 . . . . 1.0 110.878 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.18 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.8 0.666 . . . . 1.0 112.8 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -67.45 -51.43 51.64 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.784 -0.573 . . . . 1.0 112.131 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -67.34 -27.47 67.16 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.607 0.965 . . . . 1.0 113.607 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.54 -9.3 56.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.797 0.839 . . . . 1.0 113.138 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 139.66 58.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.896 1.072 . . . . 1.0 113.896 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.81 -31.63 72.87 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.6 1.16 . . . . 1.0 111.647 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.95 -45.09 78.84 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.111 . . . . 1.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.99 -49.22 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.66 0.784 . . . . 1.0 110.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.61 86.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.308 0.485 . . . . 1.0 112.308 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -64.4 -39.74 94.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.667 -0.646 . . . . 1.0 112.549 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -69.33 -41.75 76.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.1 0.864 . . . . 1.0 111.276 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.99 -41.84 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.216 1.007 . . . . 1.0 111.144 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -56.77 -43.46 80.83 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.627 1.103 . . . . 1.0 111.967 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.38 -46.79 72.26 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.185 0.994 . . . . 1.0 111.454 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.51 -44.95 85.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 1.0 111.675 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.9 mmt -61.31 -41.59 97.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.537 1.135 . . . . 1.0 111.676 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.09 92.65 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.497 0.719 . . . . 1.0 111.807 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.3 mt -66.47 -41.39 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.298 1.039 . . . . 1.0 110.361 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -78.43 4.32 13.45 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.912 1.685 . . . . 1.0 114.223 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.68 77.13 0.84 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.546 1.538 . . . . 1.0 112.745 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.1 173.67 40.13 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.748 1.642 . . . . 1.0 112.829 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.28 15.02 1.66 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.259 1.207 . . . . 1.0 114.259 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -145.78 158.97 43.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.991 1.316 . . . . 1.0 113.313 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -141.92 13.3 2.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.72 1.608 . . . . 1.0 112.933 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.42 155.59 60.82 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.988 2.115 . . . . 1.0 110.802 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.04 -21.38 36.9 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.804 2.336 . . . . 1.0 114.23 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.75 158.19 26.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.896 1.279 . . . . 1.0 112.551 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -126.78 -13.46 5.84 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -153.87 154.48 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.2 1.8 . . . . 1.0 110.385 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -133.53 31.4 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.116 1.366 . . . . 1.0 113.277 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -57.94 153.75 13.67 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.9 1.28 . . . . 1.0 113.308 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.29 27.21 1.42 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 1.0 113.749 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.11 143.13 79.23 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 124.059 0.944 . . . . 1.0 112.988 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.24 157.8 49.64 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.577 2.851 . . . . 1.0 113.428 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.39 16.71 1.16 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.245 1.418 . . . . 1.0 113.381 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.25 155.29 40.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.689 1.196 . . . . 1.0 113.535 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.2 mm -68.98 138.97 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.351 1.06 . . . . 1.0 110.274 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 t -63.39 144.79 56.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.248 1.019 . . . . 1.0 113.215 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.69 -6.96 8.97 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.103 1.361 . . . . 1.0 113.242 173.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.6 6.76 36.01 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.865 2.174 . . . . 1.0 113.006 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -130.39 -28.77 2.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.852 1.261 . . . . 1.0 113.838 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.4 -19.67 62.23 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.682 1.128 . . . . 1.0 113.819 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -62.82 -0.75 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.218 2.207 . . . . 1.0 116.226 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.3 p -133.85 16.22 3.91 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.572 1.949 . . . . 1.0 112.055 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -118.35 -20.03 8.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.9 1.68 . . . . 1.0 113.4 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 p -137.54 166.24 24.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.5 1.52 . . . . 1.0 113.464 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -146.06 89.66 5.98 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 125.845 1.658 . . . . 1.0 110.038 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -68.26 -20.96 42.39 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.766 2.311 . . . . 1.0 113.18 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -29.09 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.591 1.556 . . . . 1.0 111.596 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.8 m -123.75 -6.7 7.97 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.395 1.878 . . . . 1.0 114.348 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 56.6 57.44 4.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.844 2.858 . . . . 1.0 112.778 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.1 mtm -138.04 171.26 14.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.542 1.537 . . . . 1.0 112.757 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 p -131.95 163.89 27.35 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.254 1.822 . . . . 1.0 112.173 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.21 147.18 52.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.738 1.215 . . . . 1.0 113.164 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.9 p -79.19 -16.69 56.2 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.104 1.362 . . . . 1.0 114.453 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 t -155.75 145.15 15.24 Favored Pre-proline 0 N--CA 1.471 0.602 0 C-N-CA 125.225 1.41 . . . . 1.0 111.517 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.35 -34.58 50.7 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.676 2.918 . . . . 1.0 114.376 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.94 -38.1 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.587 -0.695 . . . . 1.0 111.279 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.62 -39.81 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.627 0.771 . . . . 1.0 109.872 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.81 79.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.318 0.647 . . . . 1.0 111.095 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.7 -43.14 89.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.016 0.526 . . . . 1.0 111.96 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.0 m -65.17 -39.53 93.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.296 0.638 . . . . 1.0 111.885 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -63.63 -47.87 79.6 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.573 -0.704 . . . . 1.0 111.746 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.11 -15.01 4.53 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.49 1.92 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.094 1.358 . . . . 1.0 113.415 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.68 153.61 24.12 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.522 1.058 . . . . 1.0 112.508 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -58.01 -29.66 65.47 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.625 1.343 . . . . 1.0 114.625 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.5 m -58.75 -44.13 90.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.822 0.849 . . . . 1.0 110.845 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -70.48 -43.58 69.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.787 0.835 . . . . 1.0 111.52 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.6 -37.73 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.675 1.19 . . . . 1.0 111.817 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -57.84 -43.52 85.91 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.578 -0.702 . . . . 1.0 110.132 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.06 -31.39 67.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 117.666 -1.159 . . . . 1.0 112.845 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.31 -42.46 73.73 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.909 1.686 . . . . 1.0 110.262 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -64.83 -45.11 87.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.195 1.398 . . . . 1.0 111.651 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.47 -35.46 80.53 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.787 0.835 . . . . 1.0 112.509 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -81.58 -8.4 59.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.329 1.452 . . . . 1.0 112.768 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 54.17 33.19 17.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.292 2.237 . . . . 1.0 112.785 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 126.018 1.727 . . . . 1.0 111.187 -176.182 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 121.024 0.44 . . . . 1.0 111.891 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -151.04 159.4 44.56 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.271 1.428 . . . . 1.0 111.582 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.38 6.09 1.1 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.418 1.887 . . . . 1.0 113.554 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.26 160.72 30.74 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.303 1.041 . . . . 1.0 112.734 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.66 172.85 43.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.696 1.617 . . . . 1.0 112.57 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -61.22 145.41 51.31 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.761 0.825 . . . . 1.0 113.093 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.07 18.27 0.33 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.382 1.944 . . . . 1.0 113.399 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.85 132.07 48.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.993 1.317 . . . . 1.0 112.298 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.04 166.12 34.42 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.046 1.338 . . . . 1.0 112.364 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 tp -155.09 138.41 15.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.071 1.748 . . . . 1.0 109.776 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.09 52.75 1.29 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.897 1.679 . . . . 1.0 110.979 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -56.21 149.82 34.63 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 114.807 1.41 . . . . 1.0 114.807 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.77 156.72 18.02 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.192 3.262 . . . . 1.0 115.098 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -142.2 21.66 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.089 1.356 . . . . 1.0 112.496 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.43 165.74 30.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 126.08 1.8 . . . . 1.0 112.346 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -55.95 -37.03 68.45 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.05 -44.64 91.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.744 0.702 . . . . 1.0 111.861 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.85 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 1.0 111.591 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.39 -46.28 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.989 0.813 . . . . 1.0 110.766 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -61.22 -44.42 97.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.377 0.671 . . . . 1.0 111.038 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -65.96 -39.33 90.33 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.651 0.66 . . . . 1.0 112.423 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.51 -43.09 97.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.239 0.927 . . . . 1.0 110.786 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.86 -50.11 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.372 1.069 . . . . 1.0 110.067 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.794 1.637 . . . . 1.0 113.111 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -74.91 -15.72 60.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.679 1.192 . . . . 1.0 113.757 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -134.41 41.98 2.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.916 1.287 . . . . 1.0 112.806 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -54.69 -18.85 5.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.186 1.55 . . . . 1.0 115.186 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -75.02 -20.31 59.67 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 1.0 113.821 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.7 pt -130.09 -16.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 115.024 1.49 . . . . 1.0 115.024 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -129.84 148.91 51.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.081 1.352 . . . . 1.0 110.64 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 p -149.71 170.12 19.45 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.941 1.297 . . . . 1.0 110.671 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.61 -10.28 25.34 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.179 0.807 . . . . 1.0 113.179 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.0 p -131.71 -1.86 3.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 115.637 1.718 . . . . 1.0 115.637 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -161.97 146.43 12.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.831 1.651 . . . . 1.0 113.604 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -117.43 114.87 24.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.075 1.35 . . . . 1.0 108.809 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -74.79 -36.28 62.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.397 0.888 . . . . 1.0 113.397 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.45 -37.03 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.786 0.834 . . . . 1.0 111.478 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -104.0 8.18 36.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.532 1.533 . . . . 1.0 112.317 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 33.75 55.76 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.961 2.904 . . . . 1.0 114.018 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.08 144.36 43.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.604 1.162 . . . . 1.0 113.161 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.02 148.57 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.111 1.364 . . . . 1.0 109.674 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.67 74.86 1.51 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.551 2.34 . . . . 1.0 108.923 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -15.1 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 117.17 2.285 . . . . 1.0 117.17 -174.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 m -155.66 158.12 37.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.472 1.509 . . . . 1.0 111.212 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -56.75 -36.31 69.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.181 0.992 . . . . 1.0 113.124 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -61.74 -41.15 97.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.015 1.28 . . . . 1.0 112.212 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -68.53 -40.06 80.92 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.564 -0.71 . . . . 1.0 110.402 174.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.76 -47.77 84.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.623 0.647 . . . . 1.0 110.563 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.19 -41.7 97.28 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.305 1.042 . . . . 1.0 111.892 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.77 74.49 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.606 0.639 . . . . 1.0 112.0 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.74 -51.37 62.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.196 0.598 . . . . 1.0 112.199 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.85 -18.75 65.55 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.191 1.182 . . . . 1.0 114.191 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -98.28 -11.9 22.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.28 1.032 . . . . 1.0 112.85 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 t -59.82 136.54 58.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.039 0.936 . . . . 1.0 111.977 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -63.97 -29.97 71.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.356 0.663 . . . . 1.0 112.217 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.83 -45.53 74.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.076 0.95 . . . . 1.0 110.254 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -61.98 -49.21 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.012 0.925 . . . . 1.0 110.273 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.33 79.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.925 0.89 . . . . 1.0 112.304 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.72 -45.48 89.78 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.778 -0.576 . . . . 1.0 111.583 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.07 -43.69 91.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.519 0.728 . . . . 1.0 111.888 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.45 -45.21 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.625 0.77 . . . . 1.0 110.826 176.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -43.24 89.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.111 0.869 . . . . 1.0 111.742 175.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -66.94 -44.24 81.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.356 1.063 . . . . 1.0 111.626 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.05 -44.81 94.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.293 1.437 . . . . 1.0 111.827 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.1 mmt -58.95 -41.28 87.07 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.867 0.867 . . . . 1.0 111.582 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.64 81.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.193 0.597 . . . . 1.0 112.404 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.77 -38.92 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.559 1.144 . . . . 1.0 111.114 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.11 -28.96 70.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.493 1.517 . . . . 1.0 113.879 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.57 127.98 33.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.836 0.855 . . . . 1.0 110.97 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 169.35 -164.55 38.1 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.759 0.695 . . . . 1.0 114.225 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -71.96 77.79 0.91 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.974 1.71 . . . . 1.0 112.34 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -57.52 -28.97 63.96 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.91 1.684 . . . . 1.0 114.194 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.4 m -143.29 166.46 24.66 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.437 1.895 . . . . 1.0 110.9 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.5 m -136.67 152.6 74.8 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.185 1.394 . . . . 1.0 112.127 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.77 -6.68 17.8 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.727 2.951 . . . . 1.0 114.381 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.42 167.85 5.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.368 1.467 . . . . 1.0 113.668 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.34 -32.58 72.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.93 1.292 . . . . 1.0 113.857 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -67.61 168.75 10.56 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.324 1.45 . . . . 1.0 113.077 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -142.46 174.63 10.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.726 1.21 . . . . 1.0 112.397 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.44 153.53 7.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.95 2.1 . . . . 1.0 113.453 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.87 173.32 7.53 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.764 1.225 . . . . 1.0 112.62 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.28 151.97 62.96 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.311 1.445 . . . . 1.0 111.581 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.93 163.17 39.67 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.387 2.725 . . . . 1.0 113.223 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.17 16.97 2.99 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.504 1.522 . . . . 1.0 113.06 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -75.1 -0.76 20.2 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.052 1.341 . . . . 1.0 114.367 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.08 128.78 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 1.0 108.061 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.2 p -60.53 -37.39 81.04 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.867 1.062 . . . . 1.0 113.867 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.34 -41.64 72.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.514 1.126 . . . . 1.0 112.404 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.34 -7.14 39.97 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.97 1.548 . . . . 1.0 116.97 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -132.4 5.99 4.1 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.915 1.858 . . . . 1.0 113.686 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.93 -19.85 2.0 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.999 2.52 . . . . 1.0 116.49 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -147.26 159.38 43.72 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 127.995 2.518 . . . . 1.0 108.097 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m 70.91 -5.6 1.46 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.518 2.327 . . . . 1.0 114.607 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -136.39 -21.55 1.35 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.519 1.927 . . . . 1.0 113.238 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.6 p -149.3 172.42 14.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.199 . . . . 1.0 112.152 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.1 t -145.39 93.84 5.31 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.229 1.411 . . . . 1.0 110.036 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.45 -22.03 45.87 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.529 2.153 . . . . 1.0 113.439 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.0 -31.45 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.381 1.073 . . . . 1.0 111.255 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.2 m -112.33 -10.22 13.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.976 1.71 . . . . 1.0 113.561 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.3 t30 57.18 58.3 4.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.712 2.805 . . . . 1.0 112.545 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.4 mtm -136.87 168.07 20.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.346 1.458 . . . . 1.0 113.066 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -130.96 156.4 45.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.637 1.975 . . . . 1.0 111.435 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.31 147.07 52.54 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.94 1.296 . . . . 1.0 112.541 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 p -77.59 -17.37 57.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.525 1.306 . . . . 1.0 114.525 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -159.29 148.47 14.43 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.026 1.33 . . . . 1.0 112.13 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.54 -30.73 36.88 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.583 2.855 . . . . 1.0 113.827 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -39.14 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.275 1.03 . . . . 1.0 111.054 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.64 -41.19 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.007 0.923 . . . . 1.0 109.679 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.22 -50.93 71.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.588 0.755 . . . . 1.0 112.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.95 -40.74 98.57 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.337 -0.852 . . . . 1.0 112.072 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.7 m -59.94 -37.85 80.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.689 0.796 . . . . 1.0 111.357 176.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -68.56 -49.77 56.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.294 0.638 . . . . 1.0 110.945 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -55.01 -35.69 64.66 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.731 1.011 . . . . 1.0 113.731 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.82 -5.77 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 113.849 1.055 . . . . 1.0 113.849 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.38 159.34 27.23 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.588 1.089 . . . . 1.0 113.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -61.99 -24.94 67.34 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.182 1.178 . . . . 1.0 114.182 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -58.17 -41.13 83.2 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.11 0.868 . . . . 1.0 110.971 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -70.11 -46.15 65.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.283 0.633 . . . . 1.0 110.91 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.74 -39.34 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.077 1.351 . . . . 1.0 112.271 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.91 -39.97 79.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.821 0.849 . . . . 1.0 110.729 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -74.3 -31.03 62.34 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.308 -0.853 . . . . 1.0 112.225 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.4 -49.2 78.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.336 1.425 . . . . 1.0 109.175 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -59.57 -39.99 85.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.45 1.1 . . . . 1.0 111.888 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.12 -13.53 48.5 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.519 1.528 . . . . 1.0 113.837 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.03 -33.05 7.01 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.527 1.531 . . . . 1.0 111.33 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.93 -37.19 83.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 1.0 111.723 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 C--O 1.24 0.601 0 C-N-CA 125.695 1.598 . . . . 1.0 111.999 -176.259 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.387 0.884 . . . . 1.0 113.387 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.33 43.58 0.18 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.537 1.935 . . . . 1.0 113.652 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.43 -45.37 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 1.0 112.139 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -155.94 154.5 31.26 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.826 1.25 . . . . 1.0 112.017 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.06 172.38 43.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.236 1.398 . . . . 1.0 112.941 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -140.89 13.14 2.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.713 1.205 . . . . 1.0 114.177 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 171.49 44.56 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.913 1.244 . . . . 1.0 114.565 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -143.06 9.24 1.69 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.458 1.503 . . . . 1.0 114.281 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.17 9.56 1.96 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 115.466 1.654 . . . . 1.0 115.466 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -143.28 118.21 9.99 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.268 1.427 . . . . 1.0 111.445 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.51 62.44 6.17 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.097 1.359 . . . . 1.0 112.191 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -136.2 142.95 41.8 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.169 0.988 . . . . 1.0 113.588 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.88 171.12 15.85 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.96 3.773 . . . . 1.0 111.431 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -139.32 110.61 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.216 1.406 . . . . 1.0 109.611 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.04 170.29 46.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.726 1.155 . . . . 1.0 114.588 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -55.9 -43.37 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.32 -47.07 84.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.023 0.929 . . . . 1.0 112.32 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.12 78.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 122.048 -0.407 . . . . 1.0 111.807 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.27 -46.15 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.881 0.764 . . . . 1.0 110.674 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.33 -40.95 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.428 -0.795 . . . . 1.0 111.215 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -65.05 -44.14 90.03 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.177 0.591 . . . . 1.0 111.389 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.73 -42.18 96.8 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.908 1.283 . . . . 1.0 111.332 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.3 -50.2 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.266 1.026 . . . . 1.0 109.751 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -61.53 -41.63 97.63 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.52 0.933 . . . . 1.0 113.52 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.78 -14.83 62.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.13 0.972 . . . . 1.0 113.444 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.1 38.0 3.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.293 1.437 . . . . 1.0 112.113 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -52.7 -20.54 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -74.4 -19.79 60.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.781 1.632 . . . . 1.0 113.792 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 pt -132.61 -18.5 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -125.62 142.76 51.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.133 1.373 . . . . 1.0 109.575 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 p -147.75 171.99 14.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.918 1.287 . . . . 1.0 110.946 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.06 -10.82 33.12 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.4 p -131.89 -3.02 3.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.629 1.714 . . . . 1.0 115.629 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -160.84 145.8 14.19 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.877 1.671 . . . . 1.0 113.877 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.53 114.33 23.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.029 1.332 . . . . 1.0 108.491 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.9 -33.49 57.79 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.495 0.924 . . . . 1.0 113.495 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.62 -29.86 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.079 0.952 . . . . 1.0 111.407 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -112.58 8.53 19.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.122 1.769 . . . . 1.0 112.584 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m 35.13 54.49 0.75 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.67 2.788 . . . . 1.0 113.681 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.02 145.07 43.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.485 1.114 . . . . 1.0 113.584 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -87.96 147.6 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.144 1.378 . . . . 1.0 109.546 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.9 mt -121.33 76.91 1.28 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.365 2.266 . . . . 1.0 108.724 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 pt -53.02 -17.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 117.246 2.313 . . . . 1.0 117.246 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 t -156.88 162.49 39.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.311 1.445 . . . . 1.0 110.616 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -58.35 -35.84 72.55 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.419 -0.801 . . . . 1.0 111.896 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 p -60.79 -43.06 98.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.217 . . . . 1.0 111.909 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -65.41 -42.27 92.72 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.347 1.059 . . . . 1.0 110.755 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -61.11 -47.81 84.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.49 0.716 . . . . 1.0 110.797 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.07 -42.18 98.93 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.693 1.197 . . . . 1.0 111.654 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -43.29 71.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.524 0.602 . . . . 1.0 112.069 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.86 -51.43 64.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.938 0.79 . . . . 1.0 111.659 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -64.14 -17.84 63.86 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.238 1.199 . . . . 1.0 114.238 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -105.5 -2.62 23.42 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.899 1.279 . . . . 1.0 113.161 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.8 t -72.85 142.08 47.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.518 1.127 . . . . 1.0 113.795 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.179 -0.95 . . . . 1.0 112.036 174.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.99 -35.78 77.09 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.701 1.2 . . . . 1.0 111.207 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -70.27 -40.63 74.22 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 1.0 109.736 173.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.26 82.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.945 0.72 . . . . 1.0 112.945 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -62.66 -32.16 73.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.245 -0.909 . . . . 1.0 112.602 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -74.5 -38.98 62.69 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.678 -0.639 . . . . 1.0 111.127 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.02 -36.33 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.592 0.757 . . . . 1.0 110.628 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -56.81 -36.97 70.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.518 1.054 . . . . 1.0 111.663 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -63.27 -49.07 75.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.602 0.761 . . . . 1.0 110.469 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.45 -42.67 99.12 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.414 1.086 . . . . 1.0 111.8 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.5 mmt -64.76 -47.53 77.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.255 1.022 . . . . 1.0 111.904 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.16 -28.99 43.75 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.424 1.268 . . . . 1.0 114.424 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.69 -20.65 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.001 1.32 . . . . 1.0 112.021 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 -10.24 7.49 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.21 1.404 . . . . 1.0 113.725 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.59 146.78 53.07 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.764 1.625 . . . . 1.0 111.805 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.36 -169.21 37.53 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.953 0.787 . . . . 1.0 114.213 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.82 174.22 11.18 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.089 1.755 . . . . 1.0 111.818 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -145.98 165.41 29.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 1.0 112.379 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -149.35 177.33 9.77 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.663 1.585 . . . . 1.0 112.133 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.0 133.29 10.18 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.399 1.479 . . . . 1.0 111.47 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.87 52.13 3.89 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 124.788 3.658 . . . . 1.0 112.579 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.52 63.06 0.39 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.649 1.979 . . . . 1.0 113.429 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.29 164.02 16.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.78 2.032 . . . . 1.0 111.864 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -133.01 149.29 52.23 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.287 1.835 . . . . 1.0 110.185 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -136.1 15.12 3.29 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.645 1.35 . . . . 1.0 114.645 -175.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -146.14 170.9 15.76 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.348 1.459 . . . . 1.0 112.968 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.14 169.76 19.31 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.637 1.575 . . . . 1.0 112.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.1 151.4 90.2 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 124.646 1.178 . . . . 1.0 113.264 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -71.82 166.52 29.26 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.713 2.942 . . . . 1.0 113.134 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.97 33.38 1.56 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.601 1.56 . . . . 1.0 112.387 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.9 -16.04 37.58 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.808 1.781 . . . . 1.0 115.808 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -78.21 58.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 126.119 1.767 . . . . 1.0 110.387 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.4 p -139.87 -14.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.32 1.848 . . . . 1.0 113.788 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.98 -19.77 62.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.675 1.19 . . . . 1.0 113.559 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.92 -177.63 44.17 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.943 1.259 . . . . 1.0 113.859 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.06 153.35 37.73 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.342 1.457 . . . . 1.0 113.188 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -141.36 151.28 43.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.849 1.66 . . . . 1.0 111.185 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -141.08 32.04 1.76 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.905 1.682 . . . . 1.0 113.451 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p -61.0 -0.92 0.35 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 118.539 2.792 . . . . 1.0 118.539 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -130.5 -21.25 2.85 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.193 2.294 . . . . 1.0 117.193 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -144.13 163.26 34.09 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.377 1.444 . . . . 1.0 113.996 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 t -144.26 91.35 6.42 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 126.109 1.764 . . . . 1.0 110.415 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.69 -20.05 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.946 2.431 . . . . 1.0 113.635 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.03 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.771 0.829 . . . . 1.0 110.27 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 78.3 m -98.05 -10.37 24.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.158 1.383 . . . . 1.0 113.578 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 21.0 m120 60.87 55.24 3.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.877 2.471 . . . . 1.0 111.635 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.4 mtm -135.55 168.18 19.72 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.133 1.373 . . . . 1.0 113.41 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.92 163.19 28.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.039 2.136 . . . . 1.0 110.174 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -130.97 145.67 52.12 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.09 0.774 . . . . 1.0 113.09 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -76.46 -18.89 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.095 1.358 . . . . 1.0 114.565 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -155.82 148.43 17.87 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 125.072 1.349 . . . . 1.0 112.001 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -50.67 -34.01 42.01 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.762 2.975 . . . . 1.0 113.757 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.47 -44.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.357 1.063 . . . . 1.0 110.773 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.83 -41.49 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.677 0.791 . . . . 1.0 110.348 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.66 54.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.161 0.584 . . . . 1.0 112.228 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.61 -42.76 99.33 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.314 -0.866 . . . . 1.0 112.321 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 m -59.75 -36.33 76.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.535 0.734 . . . . 1.0 112.12 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.81 -50.16 63.48 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.664 0.666 . . . . 1.0 111.054 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.95 -36.27 76.74 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.954 1.094 . . . . 1.0 113.954 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -85.52 -9.05 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.354 0.872 . . . . 1.0 113.354 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.93 159.4 23.68 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.82 1.2 . . . . 1.0 113.717 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -16.97 63.53 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 m -58.48 -39.92 81.29 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.335 1.054 . . . . 1.0 111.186 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.64 -44.48 74.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.286 0.634 . . . . 1.0 110.404 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.85 -38.74 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.236 1.414 . . . . 1.0 112.293 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.32 -39.47 75.91 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.09 0.859 . . . . 1.0 110.646 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.04 -38.98 69.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.279 -0.867 . . . . 1.0 111.326 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.37 -48.71 73.86 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.267 1.394 . . . . 1.0 110.068 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.16 -41.86 93.71 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.896 1.279 . . . . 1.0 111.706 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.75 -44.77 96.24 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.986 0.914 . . . . 1.0 111.201 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -63.84 -41.02 97.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.739 0.815 . . . . 1.0 111.813 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.57 -38.21 83.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.471 0.709 . . . . 1.0 112.25 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 125.03 1.332 . . . . 1.0 110.763 178.126 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 CA-C-O 121.221 0.534 . . . . 1.0 112.235 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.27 -17.68 4.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.698 2.399 . . . . 1.0 115.62 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -132.58 14.41 4.47 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.896 1.678 . . . . 1.0 111.997 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -74.76 -23.07 58.48 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.82 -1.175 . . . . 1.0 113.334 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.87 -175.55 38.95 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.089 1.328 . . . . 1.0 113.406 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -133.44 18.19 3.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.581 1.553 . . . . 1.0 113.886 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.48 -175.89 40.81 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.247 1.403 . . . . 1.0 113.142 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.0 127.28 31.29 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.633 1.173 . . . . 1.0 112.403 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.0 164.59 34.15 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.194 1.398 . . . . 1.0 112.029 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -124.68 74.54 1.35 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.529 1.132 . . . . 1.0 112.278 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.02 56.66 1.64 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.102 1.761 . . . . 1.0 110.242 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 mp -142.91 161.1 50.53 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 127.419 2.288 . . . . 1.0 111.74 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.09 156.81 56.81 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.039 2.493 . . . . 1.0 111.772 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.73 30.39 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.565 1.146 . . . . 1.0 112.085 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.87 164.22 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.699 1.142 . . . . 1.0 113.175 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.03 -43.13 81.6 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.648 0.779 . . . . 1.0 113.027 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -60.52 -43.02 97.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.002 0.921 . . . . 1.0 111.939 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.32 85.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.968 0.507 . . . . 1.0 111.35 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.74 -46.04 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.513 0.597 . . . . 1.0 110.66 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.43 -43.56 96.67 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.553 -0.717 . . . . 1.0 111.495 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -64.24 -44.32 92.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.303 0.641 . . . . 1.0 111.511 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.52 -43.28 93.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.81 1.244 . . . . 1.0 111.533 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.19 -50.06 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.024 0.93 . . . . 1.0 110.021 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -60.7 -42.32 96.95 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.785 1.031 . . . . 1.0 113.785 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.59 -12.93 60.31 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.554 0.946 . . . . 1.0 113.554 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -128.18 35.72 4.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.413 1.485 . . . . 1.0 111.856 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -54.07 -18.22 3.44 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.439 1.644 . . . . 1.0 115.439 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -75.38 -16.05 60.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.709 1.604 . . . . 1.0 113.685 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.2 pt -136.5 -22.13 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.316 1.446 . . . . 1.0 114.812 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -119.84 154.74 33.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.495 1.518 . . . . 1.0 109.724 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.9 p -156.19 170.22 22.73 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.779 0.831 . . . . 1.0 111.585 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.85 -18.97 59.0 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.787 1.032 . . . . 1.0 113.787 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -135.81 6.01 3.15 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.038 1.866 . . . . 1.0 116.038 -176.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -162.03 144.62 11.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.602 1.546 . . . . 1.0 113.25 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -117.54 115.0 24.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.013 1.325 . . . . 1.0 109.685 172.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -77.14 -32.09 56.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.64 -35.92 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 123.811 0.844 . . . . 1.0 111.752 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -105.48 7.3 32.99 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.592 1.557 . . . . 1.0 112.219 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m 36.43 54.01 1.04 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.88 2.872 . . . . 1.0 113.717 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.28 148.98 46.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.461 1.104 . . . . 1.0 113.671 -176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.48 147.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.088 1.355 . . . . 1.0 109.405 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -126.09 73.54 1.37 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.257 2.223 . . . . 1.0 108.446 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -52.85 -14.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 117.214 2.301 . . . . 1.0 117.214 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -153.74 159.46 41.97 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.105 1.362 . . . . 1.0 110.933 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.81 -36.58 70.09 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.684 0.794 . . . . 1.0 111.583 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -59.05 -37.95 78.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.698 1.135 . . . . 1.0 112.799 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -70.85 -44.91 65.46 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.506 0.722 . . . . 1.0 109.875 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.71 -47.22 85.33 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.03 0.932 . . . . 1.0 111.099 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.99 -44.98 96.61 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.617 1.167 . . . . 1.0 111.724 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.45 80.07 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.082 0.855 . . . . 1.0 112.122 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -64.57 -51.3 63.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.716 0.807 . . . . 1.0 112.693 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.2 -21.67 62.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.341 1.237 . . . . 1.0 114.341 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -91.24 -12.53 34.95 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.355 0.98 . . . . 1.0 112.962 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.9 t -77.53 130.62 37.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.113 0.965 . . . . 1.0 111.624 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -54.95 -26.98 40.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.28 -36.25 75.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.091 0.956 . . . . 1.0 111.485 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.98 -49.21 73.4 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.4 0.68 . . . . 1.0 110.696 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.85 85.94 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.93 -0.481 . . . . 1.0 111.934 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -57.71 -47.05 83.49 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.935 -0.478 . . . . 1.0 111.383 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.81 -34.34 77.61 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.062 -0.97 . . . . 1.0 112.44 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.99 -45.42 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.655 1.116 . . . . 1.0 111.2 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -61.16 -41.0 95.97 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.467 1.031 . . . . 1.0 111.069 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -61.24 -51.08 70.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.016 1.326 . . . . 1.0 110.016 173.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -60.13 -40.39 89.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.392 1.077 . . . . 1.0 113.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.0 mmt -57.54 -32.64 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.629 0.772 . . . . 1.0 112.073 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.52 -19.16 62.93 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 113.192 0.812 . . . . 1.0 113.192 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.1 mm -93.65 -40.12 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.569 . . . . 1.0 110.524 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -140.66 93.68 2.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.622 1.969 . . . . 1.0 109.867 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -57.74 158.19 6.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.064 1.505 . . . . 1.0 115.064 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.33 -179.14 44.76 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.816 1.674 . . . . 1.0 112.14 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -139.8 145.64 38.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.808 1.243 . . . . 1.0 111.504 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -156.56 173.73 16.49 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.199 1.8 . . . . 1.0 110.293 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -143.32 164.79 29.26 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.584 1.154 . . . . 1.0 113.711 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.3 m -142.81 160.63 52.6 Favored Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 127.036 2.134 . . . . 1.0 110.399 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.81 106.39 0.14 Allowed 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.934 3.089 . . . . 1.0 113.28 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.03 31.07 1.14 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.613 1.565 . . . . 1.0 112.675 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -128.38 165.6 20.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.062 1.745 . . . . 1.0 111.816 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -146.53 179.96 7.18 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.12 1.768 . . . . 1.0 112.547 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.78 163.17 19.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.85 1.26 . . . . 1.0 112.769 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -121.41 96.17 4.97 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.818 1.647 . . . . 1.0 110.292 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 171.2 5.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.199 1.4 . . . . 1.0 113.731 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.05 153.43 63.68 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 126.123 1.769 . . . . 1.0 110.806 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.52 143.43 62.89 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.04 2.493 . . . . 1.0 112.89 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.95 166.72 32.58 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.259 1.824 . . . . 1.0 110.938 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.5 146.76 26.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.445 1.098 . . . . 1.0 111.524 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.86 53.58 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 126.876 2.07 . . . . 1.0 108.365 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -65.93 165.84 12.41 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.355 1.062 . . . . 1.0 113.042 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.72 -17.33 5.7 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.593 1.957 . . . . 1.0 114.947 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -135.13 25.84 3.3 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.434 1.968 . . . . 1.0 112.643 177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -146.69 56.35 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.729 1.611 . . . . 1.0 110.794 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 172.12 13.17 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.952 1.301 . . . . 1.0 113.2 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -133.2 38.8 3.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.842 1.657 . . . . 1.0 112.533 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.6 p -132.45 -21.13 2.3 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.563 1.545 . . . . 1.0 113.248 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -121.08 -10.28 9.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.754 2.022 . . . . 1.0 111.519 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.1 t -146.16 162.03 38.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.607 1.563 . . . . 1.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.4 t -142.42 95.82 6.49 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 127.104 2.162 . . . . 1.0 109.176 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.36 -22.0 29.92 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.691 2.261 . . . . 1.0 113.58 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.06 -23.48 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 1.0 111.745 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -122.51 -8.52 8.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.361 1.864 . . . . 1.0 113.701 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 55.08 58.15 4.97 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.674 2.79 . . . . 1.0 112.576 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtm -135.4 169.39 17.57 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.486 1.514 . . . . 1.0 112.538 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.4 p -131.07 157.96 41.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.055 1.742 . . . . 1.0 111.994 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.444 1.498 . . . . 1.0 112.3 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.8 p -71.9 -30.54 65.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.4 m -150.48 153.89 34.96 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.121 1.369 . . . . 1.0 112.184 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.22 -40.07 42.68 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 124.182 3.255 . . . . 1.0 115.597 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -37.85 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.473 -0.767 . . . . 1.0 111.696 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.44 -40.08 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.666 0.786 . . . . 1.0 110.06 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.8 84.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.936 0.494 . . . . 1.0 110.97 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.62 -43.4 89.64 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.546 -0.721 . . . . 1.0 111.515 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 m -60.77 -36.2 78.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.501 0.72 . . . . 1.0 112.211 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -70.15 -50.22 42.66 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.717 -0.615 . . . . 1.0 111.248 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -56.03 -31.21 62.91 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.462 1.282 . . . . 1.0 114.462 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.43 -4.72 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.59 157.85 26.91 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.419 1.009 . . . . 1.0 114.46 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -57.45 -32.62 67.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.438 1.095 . . . . 1.0 113.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -56.75 -43.88 81.19 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.586 1.154 . . . . 1.0 111.255 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -70.25 -42.68 71.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.962 -0.461 . . . . 1.0 111.615 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.93 -37.65 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.953 0.901 . . . . 1.0 111.581 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.42 -40.11 74.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.408 -0.808 . . . . 1.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.9 -22.83 55.69 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.083 0.953 . . . . 1.0 113.072 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.64 -50.91 65.24 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.314 1.416 . . . . 1.0 108.39 172.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -58.68 -32.12 68.84 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.836 0.854 . . . . 1.0 112.453 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.7 tp -66.86 -15.03 63.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.002 1.321 . . . . 1.0 113.094 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -115.01 -30.49 6.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.165 1.786 . . . . 1.0 112.924 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.08 -35.2 80.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.388 1.075 . . . . 1.0 112.41 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 124.446 1.098 . . . . 1.0 111.574 178.361 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.74 1.015 . . . . 1.0 113.74 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -145.55 170.53 16.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.091 1.356 . . . . 1.0 113.11 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.09 174.79 14.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.715 2.006 . . . . 1.0 110.944 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -136.77 -48.47 0.62 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.509 0.929 . . . . 1.0 113.509 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.77 172.53 35.68 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.705 0.669 . . . . 1.0 114.403 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -143.67 170.94 14.91 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.571 1.948 . . . . 1.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.01 -28.2 0.04 OUTLIER Glycine 0 CA--C 1.535 1.341 0 N-CA-C 115.384 0.914 . . . . 1.0 115.384 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.06 164.17 18.44 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.368 1.084 . . . . 1.0 112.172 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.72 145.77 38.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.211 . . . . 1.0 112.543 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -160.6 160.25 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.281 2.232 . . . . 1.0 108.395 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -75.69 14.96 0.55 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.729 1.612 . . . . 1.0 112.829 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -140.62 166.37 23.51 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 129.631 3.173 . . . . 1.0 109.455 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -48.82 140.14 23.63 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.282 2.655 . . . . 1.0 112.937 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 23.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 122.59 1.186 . . . . 1.0 113.189 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.18 165.56 36.12 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.081 1.324 . . . . 1.0 113.219 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.54 -36.7 76.64 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.8 -45.23 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.759 0.709 . . . . 1.0 111.734 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.9 83.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.194 0.598 . . . . 1.0 111.462 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.76 -46.24 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 122.973 0.509 . . . . 1.0 111.677 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -60.96 -43.06 99.27 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.121 0.873 . . . . 1.0 111.204 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -64.89 -43.21 93.64 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.724 0.809 . . . . 1.0 111.406 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -43.39 97.63 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.123 -0.986 . . . . 1.0 111.482 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.64 -46.62 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.849 0.86 . . . . 1.0 109.551 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -58.72 -47.55 84.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.569 1.148 . . . . 1.0 112.646 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.5 -13.93 62.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -132.88 36.45 3.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.2 1.4 . . . . 1.0 112.199 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.5 p -55.24 -16.96 3.76 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.444 1.646 . . . . 1.0 115.444 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -81.93 -14.67 55.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.223 1.809 . . . . 1.0 113.783 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.2 pt -135.36 -12.83 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 125.416 1.486 . . . . 1.0 114.902 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -128.46 152.98 47.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.249 1.82 . . . . 1.0 109.623 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -155.88 163.64 39.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.729 1.211 . . . . 1.0 111.391 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.98 -16.28 41.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.448 1.277 . . . . 1.0 114.448 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 p -126.42 -2.91 6.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.09 1.515 . . . . 1.0 115.09 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -163.13 135.78 5.45 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.123 1.329 . . . . 1.0 112.892 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.2 t -102.34 114.86 29.39 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.329 -1.36 . . . . 1.0 107.329 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -20.49 31.3 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.744 1.016 . . . . 1.0 113.744 -176.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.14 -36.08 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 118.967 0.803 . . . . 1.0 110.528 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.3 m -103.97 6.31 36.12 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.554 1.542 . . . . 1.0 112.637 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.3 m 38.13 55.79 1.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.049 2.539 . . . . 1.0 113.41 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.55 139.28 43.81 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.555 1.142 . . . . 1.0 112.685 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.3 t -87.62 146.08 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.534 1.134 . . . . 1.0 109.433 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -122.63 75.64 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.108 2.163 . . . . 1.0 108.653 -174.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.65 -17.58 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 116.688 2.107 . . . . 1.0 116.688 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -154.53 162.08 41.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.385 1.474 . . . . 1.0 110.65 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -57.02 -35.75 69.63 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.798 0.839 . . . . 1.0 112.112 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 p -62.18 -40.71 96.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.025 1.284 . . . . 1.0 112.263 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -67.4 -41.3 85.15 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.676 -0.64 . . . . 1.0 110.242 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -60.04 -47.7 84.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.244 0.618 . . . . 1.0 110.985 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.75 -48.22 81.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.149 0.98 . . . . 1.0 110.829 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.35 99.02 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.808 0.67 . . . . 1.0 112.808 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -66.31 -51.37 58.01 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.701 0.682 . . . . 1.0 112.264 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -66.38 -17.82 65.0 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.206 1.188 . . . . 1.0 114.206 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -97.94 -12.73 21.71 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.391 1.076 . . . . 1.0 113.459 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.0 p -68.65 154.72 41.39 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -68.09 -33.46 74.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.066 . . . . 1.0 111.874 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.34 -45.16 77.2 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.907 1.283 . . . . 1.0 110.991 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -61.72 -48.49 80.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.851 0.86 . . . . 1.0 110.468 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.13 83.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.94 0.496 . . . . 1.0 111.909 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -63.85 -47.24 81.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.554 -0.736 . . . . 1.0 112.003 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -60.19 -45.31 93.58 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.95 0.796 . . . . 1.0 111.746 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.816 -0.612 . . . . 1.0 110.689 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -57.89 -43.12 85.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.383 0.992 . . . . 1.0 112.174 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -67.28 -48.73 66.81 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 118.502 0.592 . . . . 1.0 111.359 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.42 -41.8 90.38 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.879 1.272 . . . . 1.0 112.958 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.96 -32.91 71.25 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.381 1.072 . . . . 1.0 112.34 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.44 72.89 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.616 0.644 . . . . 1.0 112.06 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.1 mm -74.75 -38.97 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.246 1.018 . . . . 1.0 110.665 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -77.8 60.97 2.36 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.25 1.82 . . . . 1.0 112.721 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -137.46 161.68 35.7 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.098 1.759 . . . . 1.0 110.893 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.9 175.17 21.26 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.97 1.272 . . . . 1.0 114.574 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -145.43 -179.98 7.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.027 1.731 . . . . 1.0 112.014 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -143.78 155.74 44.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.701 1.2 . . . . 1.0 111.981 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -73.14 117.22 14.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.46 1.104 . . . . 1.0 111.811 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 m -144.73 152.44 52.47 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.806 1.642 . . . . 1.0 110.978 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.08 -22.6 19.19 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 122.879 2.386 . . . . 1.0 113.534 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.67 162.93 28.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.928 1.291 . . . . 1.0 112.822 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.49 26.79 0.08 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.929 1.692 . . . . 1.0 114.27 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -76.87 55.23 1.07 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.767 2.027 . . . . 1.0 111.883 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -68.51 -17.01 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.871 1.268 . . . . 1.0 113.673 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.45 169.72 7.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.137 1.775 . . . . 1.0 112.623 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 131.78 50.13 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.849 0.459 . . . . 1.0 110.529 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.62 149.82 11.14 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.436 1.094 . . . . 1.0 112.606 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.44 172.5 14.9 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.287 2.658 . . . . 1.0 111.536 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 138.27 54.93 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.797 0.839 . . . . 1.0 112.933 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -92.41 5.18 51.64 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.368 1.467 . . . . 1.0 112.919 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.6 mm -76.18 48.58 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 126.596 1.958 . . . . 1.0 111.787 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -62.26 -23.4 66.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.42 -1.425 . . . . 1.0 113.889 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.7 -5.47 45.78 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.429 1.492 . . . . 1.0 112.961 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.15 -125.93 0.98 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.225 1.869 . . . . 1.0 111.212 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -151.31 150.33 30.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.282 1.033 . . . . 1.0 111.514 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -146.59 158.32 43.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.314 1.846 . . . . 1.0 109.098 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -141.14 -176.13 4.58 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.526 1.53 . . . . 1.0 111.382 -175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 m 59.9 -27.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 130.028 3.331 . . . . 1.0 118.033 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -83.06 -27.22 30.43 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.839 1.199 . . . . 1.0 112.328 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.7 p -150.4 169.45 21.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.333 1.453 . . . . 1.0 113.22 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.7 t -134.61 92.12 20.37 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 127.374 2.269 . . . . 1.0 107.244 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 -29.78 25.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.403 2.735 . . . . 1.0 116.463 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.3 -47.66 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.458 1.481 . . . . 1.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.51 -9.06 58.38 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.294 1.038 . . . . 1.0 112.904 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 62.2 t30 52.28 63.55 2.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.868 3.267 . . . . 1.0 114.362 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -146.49 169.45 18.9 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.509 1.123 . . . . 1.0 113.178 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.8 p -125.76 163.08 23.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.901 1.68 . . . . 1.0 111.409 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.1 145.06 51.86 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.368 0.877 . . . . 1.0 113.368 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 p -77.05 -23.43 52.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.676 1.19 . . . . 1.0 113.814 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.8 m -145.32 149.04 39.89 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 126.242 1.817 . . . . 1.0 110.588 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.84 -27.93 59.18 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.246 2.631 . . . . 1.0 113.675 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.79 -32.89 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.669 0.788 . . . . 1.0 111.507 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.86 -42.04 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.652 0.781 . . . . 1.0 110.274 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.92 78.48 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.392 0.677 . . . . 1.0 110.836 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.95 -43.57 91.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.853 -0.529 . . . . 1.0 111.409 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -59.93 -38.38 82.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.415 1.086 . . . . 1.0 112.055 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -70.06 -43.13 71.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.822 0.849 . . . . 1.0 111.886 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.89 -27.98 63.21 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.704 1.742 . . . . 1.0 115.704 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -74.95 -0.09 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.358 1.435 . . . . 1.0 114.649 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.34 158.31 19.71 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.785 1.184 . . . . 1.0 113.709 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -62.34 -16.6 55.3 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.464 1.283 . . . . 1.0 114.464 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -52.89 -44.02 66.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.756 1.162 . . . . 1.0 112.25 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.39 -47.03 83.71 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.631 -0.668 . . . . 1.0 110.802 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.93 -37.11 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.301 1.44 . . . . 1.0 112.516 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.56 -37.73 84.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.093 -1.004 . . . . 1.0 110.609 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.79 -40.78 75.81 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.476 173.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.72 -46.59 77.71 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 120.091 1.314 . . . . 1.0 110.932 175.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.05 -44.65 91.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.507 1.523 . . . . 1.0 112.422 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.86 -40.5 79.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.456 1.102 . . . . 1.0 112.285 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -78.75 -17.16 56.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.335 1.854 . . . . 1.0 115.059 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 67.67 -38.21 0.35 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.856 2.862 . . . . 1.0 114.049 -175.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 125.462 1.505 . . . . 1.0 111.587 176.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.987 0 N-CA-C 112.975 0.731 . . . . 1.0 112.975 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -147.73 169.5 19.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.937 1.695 . . . . 1.0 111.497 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -140.87 122.18 14.88 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.306 1.442 . . . . 1.0 111.23 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.1 -31.32 71.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.734 1.214 . . . . 1.0 111.811 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.15 0.83 51.67 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.61 1.1 . . . . 1.0 114.337 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -137.33 28.29 2.79 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.472 1.909 . . . . 1.0 111.74 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.63 -163.56 13.1 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.486 1.517 . . . . 1.0 113.079 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -58.86 140.4 55.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.072 0.949 . . . . 1.0 112.357 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.26 177.12 9.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.258 1.423 . . . . 1.0 112.334 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.02 94.71 0.5 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.794 1.638 . . . . 1.0 111.646 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -75.46 48.33 0.43 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.624 1.97 . . . . 1.0 112.929 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.16 137.02 12.49 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.753 2.021 . . . . 1.0 109.948 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -73.38 154.59 50.96 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.419 2.746 . . . . 1.0 111.966 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -140.59 26.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-O 122.439 1.114 . . . . 1.0 113.295 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.01 166.86 37.28 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.334 1.445 . . . . 1.0 112.649 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -55.63 -43.13 75.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.534 0.734 . . . . 1.0 112.707 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.26 -41.9 94.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.398 1.079 . . . . 1.0 112.447 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.41 74.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 1.0 111.208 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.32 -44.77 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.381 0.537 . . . . 1.0 110.438 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -60.24 -44.33 95.32 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.839 0.855 . . . . 1.0 111.125 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.3 m -63.96 -40.99 97.68 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.459 0.704 . . . . 1.0 112.498 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.56 -43.65 98.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.582 1.153 . . . . 1.0 111.009 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.38 -46.48 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.208 1.003 . . . . 1.0 110.417 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -56.85 -46.99 81.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.103 1.361 . . . . 1.0 112.6 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -83.6 -7.24 59.55 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.467 1.284 . . . . 1.0 114.467 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -134.33 36.28 3.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.215 1.406 . . . . 1.0 111.779 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.0 p -54.63 -18.31 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.655 1.724 . . . . 1.0 115.655 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -76.98 -20.26 56.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.634 1.573 . . . . 1.0 113.504 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.08 -17.48 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.392 1.477 . . . . 1.0 114.955 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.84 149.83 48.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.672 1.589 . . . . 1.0 109.614 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -153.06 169.34 23.18 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.237 1.015 . . . . 1.0 111.966 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.73 -19.22 48.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.81 1.244 . . . . 1.0 113.951 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -133.5 4.28 3.65 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.885 1.809 . . . . 1.0 115.885 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -163.34 144.41 9.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.65 1.568 . . . . 1.0 113.233 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.9 t -115.83 114.66 25.04 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.197 1.399 . . . . 1.0 108.398 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -76.69 -33.21 58.24 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.056 0.761 . . . . 1.0 113.056 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.61 -33.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.336 0.655 . . . . 1.0 111.525 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.6 9.64 25.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 1.0 112.342 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m 34.72 56.98 0.73 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.672 2.789 . . . . 1.0 113.623 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.78 141.02 42.94 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.288 1.035 . . . . 1.0 113.235 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -87.83 147.43 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.828 1.251 . . . . 1.0 109.364 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.79 70.01 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.145 2.178 . . . . 1.0 109.248 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -52.2 -19.74 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 117.06 2.245 . . . . 1.0 117.06 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 m -145.95 157.94 43.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.071 1.348 . . . . 1.0 111.074 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.93 -36.4 70.19 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.0 p -60.18 -37.3 79.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.572 1.078 . . . . 1.0 112.508 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -69.97 -45.01 68.29 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.333 0.653 . . . . 1.0 109.854 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -60.13 -47.65 85.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.457 0.703 . . . . 1.0 111.038 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.57 -43.57 98.48 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.208 1.003 . . . . 1.0 111.564 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -40.96 77.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.329 0.968 . . . . 1.0 112.522 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -66.55 -51.31 57.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.521 0.601 . . . . 1.0 111.831 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -66.97 -31.85 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.07 -8.67 59.51 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.237 0.926 . . . . 1.0 113.346 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.5 t -67.94 136.76 54.47 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.199 -0.938 . . . . 1.0 112.707 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -63.08 -30.45 71.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.468 0.707 . . . . 1.0 111.452 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.89 -45.15 87.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.827 0.851 . . . . 1.0 110.428 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -60.91 -49.39 77.67 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.551 0.741 . . . . 1.0 110.404 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.34 84.5 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -64.0 -46.07 86.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.559 -0.713 . . . . 1.0 111.656 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -61.01 -43.78 98.38 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.168 0.987 . . . . 1.0 110.86 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.46 -43.12 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.166 0.986 . . . . 1.0 110.98 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.4 ttp-105 -59.25 -43.59 92.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.265 0.939 . . . . 1.0 111.188 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -63.86 -48.91 74.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.672 . . . . 1.0 111.199 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.09 -44.3 78.89 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.983 0.913 . . . . 1.0 112.114 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.9 mmt -69.51 -38.12 77.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.984 0.914 . . . . 1.0 112.506 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -37.32 87.04 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.612 0.765 . . . . 1.0 112.398 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.27 -26.26 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.383 1.473 . . . . 1.0 112.92 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.34 -6.14 27.85 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.141 1.163 . . . . 1.0 114.141 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -136.66 178.32 7.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.484 1.914 . . . . 1.0 111.044 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.38 169.26 54.8 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.371 -0.831 . . . . 1.0 111.766 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -137.37 171.74 14.02 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.904 1.282 . . . . 1.0 111.777 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -145.01 175.49 10.19 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.113 1.365 . . . . 1.0 112.567 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.3 p -137.91 -179.58 5.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.69 1.996 . . . . 1.0 112.936 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 m -74.01 158.64 85.52 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 124.791 1.237 . . . . 1.0 113.512 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.42 -34.33 60.78 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 123.848 3.032 . . . . 1.0 114.446 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.47 -9.55 13.3 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.13 1.372 . . . . 1.0 114.481 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -118.59 10.12 12.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.617 1.967 . . . . 1.0 112.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.49 147.7 25.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.491 1.516 . . . . 1.0 111.441 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -145.15 177.81 8.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.143 1.377 . . . . 1.0 111.807 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -152.31 155.25 37.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.434 1.494 . . . . 1.0 112.58 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.05 160.05 43.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.368 1.467 . . . . 1.0 111.51 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.88 60.36 Favored Pre-proline 0 CA--C 1.555 1.138 0 N-CA-C 116.188 1.921 . . . . 1.0 116.188 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.84 156.63 39.35 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.316 2.011 . . . . 1.0 113.258 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.84 8.0 34.24 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.129 1.372 . . . . 1.0 113.751 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -73.47 45.6 0.18 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.207 2.203 . . . . 1.0 113.705 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 86.7 mt -51.92 115.63 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.722 2.009 . . . . 1.0 111.089 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.5 m -139.64 19.26 2.52 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.028 1.731 . . . . 1.0 112.361 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -151.98 178.32 9.55 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.667 1.987 . . . . 1.0 110.57 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.4 7.97 0.03 OUTLIER Glycine 0 CA--C 1.544 1.858 0 C-N-CA 127.112 2.292 . . . . 1.0 117.512 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -74.63 -11.51 60.21 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.567 -1.549 . . . . 1.0 111.913 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.18 -4.96 1.29 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.983 2.113 . . . . 1.0 116.59 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.7 -45.2 38.88 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.593 1.557 . . . . 1.0 112.522 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m -65.09 21.5 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.644 2.378 . . . . 1.0 116.159 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -125.91 -10.78 6.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.608 1.963 . . . . 1.0 112.53 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.5 p -135.89 164.42 27.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.026 1.33 . . . . 1.0 113.583 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.8 t -148.02 89.37 5.28 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.734 1.614 . . . . 1.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.86 -30.09 22.34 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.889 2.393 . . . . 1.0 114.879 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.4 t -64.53 -46.88 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.189 0.904 . . . . 1.0 110.405 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -83.94 -8.93 59.05 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.598 1.159 . . . . 1.0 112.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.89 59.57 3.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.982 3.313 . . . . 1.0 114.117 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -150.26 179.38 8.16 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.136 1.374 . . . . 1.0 113.361 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.7 p -132.03 167.51 19.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.012 1.725 . . . . 1.0 112.917 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -131.22 147.03 52.55 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.268 1.427 . . . . 1.0 112.019 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.0 p -77.63 -26.49 50.58 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.114 0.966 . . . . 1.0 113.328 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -139.02 145.57 45.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.598 1.559 . . . . 1.0 112.19 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.13 -25.1 65.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.993 2.462 . . . . 1.0 113.137 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.6 t -63.92 -38.93 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.244 0.929 . . . . 1.0 110.448 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 t -65.65 -43.74 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.913 0.885 . . . . 1.0 109.951 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.45 65.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.703 0.801 . . . . 1.0 111.828 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.79 -42.85 90.01 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.753 0.821 . . . . 1.0 111.827 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.8 t -63.9 -40.36 96.32 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.844 . . . . 1.0 111.844 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -66.97 -48.25 69.09 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 1.0 112.935 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -54.93 -31.09 60.03 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.681 1.363 . . . . 1.0 114.681 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.32 -2.08 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 113.942 1.09 . . . . 1.0 113.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.44 153.75 21.87 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.342 0.972 . . . . 1.0 113.298 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.7 -25.7 67.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.128 1.158 . . . . 1.0 114.128 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.3 m -59.12 -40.07 84.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.22 0.918 . . . . 1.0 111.138 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -69.35 -46.62 66.56 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.377 0.671 . . . . 1.0 110.614 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.969 1.308 . . . . 1.0 112.242 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.18 -40.42 85.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.421 -0.8 . . . . 1.0 110.702 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -71.4 -36.21 71.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.647 0.779 . . . . 1.0 111.606 175.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.92 -49.22 77.5 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.616 1.098 . . . . 1.0 109.751 173.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -61.61 -43.89 98.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.295 1.838 . . . . 1.0 112.193 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.23 -38.04 79.0 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.782 1.233 . . . . 1.0 112.657 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -94.68 -7.48 40.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.89 30.75 20.27 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.041 2.136 . . . . 1.0 112.875 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 125.496 1.518 . . . . 1.0 111.472 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.073 0 N-CA-C 115.315 1.598 . . . . 1.0 115.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -134.62 28.82 3.59 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.23 1.812 . . . . 1.0 111.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -136.97 167.41 21.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.58 1.552 . . . . 1.0 113.194 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -146.42 -13.95 0.45 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.596 1.958 . . . . 1.0 113.169 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.16 3.47 89.64 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 120.943 -1.098 . . . . 1.0 115.13 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -152.3 148.5 27.6 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.188 1.795 . . . . 1.0 110.617 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.87 -33.96 2.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.476 1.036 . . . . 1.0 113.786 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -155.38 155.35 33.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.69 1.196 . . . . 1.0 112.841 178.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.91 31.86 0.62 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.419 1.488 . . . . 1.0 112.568 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.7 101.83 0.39 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.593 1.557 . . . . 1.0 110.527 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -130.36 28.59 4.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.381 1.872 . . . . 1.0 112.718 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.75 165.31 42.89 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 127.636 2.374 . . . . 1.0 113.687 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -58.75 158.54 23.84 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.581 2.854 . . . . 1.0 113.659 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 t -129.52 31.68 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.312 1.045 . . . . 1.0 112.561 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.65 157.62 19.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.065 -1.022 . . . . 1.0 113.384 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.85 -37.93 71.99 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.92 -44.69 91.37 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.886 0.766 . . . . 1.0 111.885 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.36 74.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.053 -0.498 . . . . 1.0 111.52 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.43 -42.97 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.351 0.978 . . . . 1.0 110.652 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -59.68 -46.18 89.82 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.205 1.002 . . . . 1.0 110.799 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.0 t -62.16 -44.2 97.14 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.898 -0.502 . . . . 1.0 111.343 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.85 -41.57 91.74 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.807 1.243 . . . . 1.0 112.158 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.13 -50.12 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.134 0.974 . . . . 1.0 109.877 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -61.26 -42.73 99.13 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.305 1.042 . . . . 1.0 113.091 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -68.98 -15.22 63.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.295 1.038 . . . . 1.0 113.359 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -131.43 35.61 3.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.694 1.598 . . . . 1.0 112.083 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -53.62 -19.82 4.41 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.553 1.686 . . . . 1.0 115.553 -177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -74.82 -19.82 60.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.746 1.619 . . . . 1.0 113.598 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -131.97 -20.88 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.27 1.582 . . . . 1.0 115.27 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -121.75 150.25 42.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.253 1.421 . . . . 1.0 109.827 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -154.87 168.61 26.34 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.799 1.24 . . . . 1.0 111.276 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.74 -15.41 53.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.991 1.108 . . . . 1.0 113.991 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 p -131.8 0.87 3.95 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.743 1.757 . . . . 1.0 115.743 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -163.81 145.4 9.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.454 1.479 . . . . 1.0 113.398 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -117.24 115.8 26.0 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.221 1.408 . . . . 1.0 108.966 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -73.92 -37.22 64.69 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.687 0.995 . . . . 1.0 113.687 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.6 -39.45 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.62 0.768 . . . . 1.0 111.126 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -101.54 8.11 42.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.437 1.495 . . . . 1.0 112.407 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 32.59 54.93 0.38 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.092 2.957 . . . . 1.0 114.034 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.13 145.86 44.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.738 1.215 . . . . 1.0 113.079 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.9 149.7 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.118 1.367 . . . . 1.0 109.742 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 mt -125.46 73.79 1.34 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.343 2.257 . . . . 1.0 109.147 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.81 -12.62 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 117.048 2.24 . . . . 1.0 117.048 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -152.23 156.25 39.35 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.068 1.347 . . . . 1.0 110.951 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -56.94 -39.17 74.04 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.804 0.842 . . . . 1.0 112.184 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -61.84 -35.78 79.27 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.238 0.926 . . . . 1.0 112.02 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.76 -43.83 74.97 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.853 -0.529 . . . . 1.0 109.799 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -58.6 -47.68 83.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.414 0.686 . . . . 1.0 111.007 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.0 -52.15 66.21 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.029 0.932 . . . . 1.0 110.777 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.63 86.96 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -67.85 -51.12 51.99 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.951 0.796 . . . . 1.0 112.11 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -66.13 -17.34 64.65 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.499 0.925 . . . . 1.0 113.499 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -102.61 -2.87 27.57 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.315 1.446 . . . . 1.0 112.905 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -71.55 133.56 45.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.635 1.174 . . . . 1.0 112.846 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -55.02 -31.36 61.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.379 1.472 . . . . 1.0 112.803 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -39.25 82.56 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.643 1.177 . . . . 1.0 112.097 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -61.27 -43.14 99.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.101 0.96 . . . . 1.0 111.001 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.98 81.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.755 0.707 . . . . 1.0 111.994 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -62.78 -47.1 84.95 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.107 0.563 . . . . 1.0 111.752 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -65.52 -40.83 93.4 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.734 0.642 . . . . 1.0 112.734 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 118.589 0.631 . . . . 1.0 110.437 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.82 -42.18 98.7 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.301 0.955 . . . . 1.0 111.962 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -61.41 -42.39 98.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.907 0.883 . . . . 1.0 111.45 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -70.28 -40.26 74.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.34 1.056 . . . . 1.0 112.329 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.6 mmt -62.59 -23.48 67.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.972 -1.08 . . . . 1.0 112.345 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.15 -9.75 59.05 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.878 0.871 . . . . 1.0 112.36 173.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mm -108.13 -47.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.898 2.079 . . . . 1.0 109.713 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -71.42 161.13 31.54 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.363 1.865 . . . . 1.0 113.265 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -83.33 62.37 6.67 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.344 1.458 . . . . 1.0 110.461 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.9 -172.27 19.82 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.819 1.2 . . . . 1.0 114.607 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -138.88 169.24 18.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.052 1.741 . . . . 1.0 112.139 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -59.78 151.57 25.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 1.0 114.447 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 m -61.17 111.72 1.83 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.199 1.799 . . . . 1.0 113.096 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.77 128.21 85.76 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.664 0.786 . . . . 1.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -83.18 -2.21 10.61 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.506 3.471 . . . . 1.0 115.703 -176.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.04 -21.29 1.74 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.445 1.646 . . . . 1.0 115.445 -178.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -49.39 -33.58 14.09 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.476 2.31 . . . . 1.0 113.002 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -54.47 -28.13 42.45 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.317 1.847 . . . . 1.0 114.068 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.05 -24.79 66.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 1.0 113.803 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -91.1 45.66 1.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.869 1.667 . . . . 1.0 113.591 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.04 138.19 29.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.787 1.235 . . . . 1.0 112.136 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.73 159.14 27.76 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.18 1.792 . . . . 1.0 111.423 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.0 141.13 68.78 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.936 3.091 . . . . 1.0 113.561 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.21 29.2 0.57 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.105 1.15 . . . . 1.0 114.105 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.6 137.88 30.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.758 -1.214 . . . . 1.0 113.27 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -54.36 -36.98 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 126.432 1.893 . . . . 1.0 112.325 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.1 m -57.67 -14.67 5.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.237 1.815 . . . . 1.0 115.179 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.44 -35.52 65.54 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.876 1.217 . . . . 1.0 113.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.38 -45.78 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.502 1.049 . . . . 1.0 115.197 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.46 -21.66 65.62 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.11 1.893 . . . . 1.0 116.11 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -116.47 0.72 12.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.9 1.444 . . . . 1.0 114.9 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.9 -27.55 60.87 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.057 0.943 . . . . 1.0 112.375 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p -74.11 -8.14 55.1 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.304 1.841 . . . . 1.0 114.353 177.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -123.2 -32.31 3.46 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.649 1.179 . . . . 1.0 113.498 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.2 m -139.0 158.45 44.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.911 0.884 . . . . 1.0 112.656 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.2 t -133.93 99.29 13.88 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.94 1.696 . . . . 1.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -70.87 -20.34 29.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.909 2.406 . . . . 1.0 113.294 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.28 -37.17 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.03 1.332 . . . . 1.0 111.163 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.5 m -111.01 -11.33 14.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.961 1.704 . . . . 1.0 113.722 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.9 t30 58.82 57.2 3.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.102 2.561 . . . . 1.0 111.963 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.9 mtm -135.61 170.61 15.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.676 1.59 . . . . 1.0 112.602 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.2 p -131.07 161.08 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.8 1.64 . . . . 1.0 111.769 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.23 147.06 52.55 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.714 1.605 . . . . 1.0 112.259 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 p -76.05 -21.25 56.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 157.32 23.13 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 125.623 1.569 . . . . 1.0 111.949 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.06 -36.62 66.18 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.975 3.117 . . . . 1.0 114.938 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.42 -37.2 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.601 0.76 . . . . 1.0 111.27 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 -39.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.908 0.883 . . . . 1.0 110.107 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.11 74.65 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.22 0.608 . . . . 1.0 110.752 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -43.03 91.74 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.665 0.786 . . . . 1.0 111.585 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.0 m -61.76 -38.08 86.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.889 0.876 . . . . 1.0 111.979 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.29 -48.27 68.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.557 0.743 . . . . 1.0 111.343 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.56 -31.22 67.79 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.365 1.246 . . . . 1.0 114.365 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -89.58 -3.13 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 113.358 0.873 . . . . 1.0 113.358 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.31 160.64 22.14 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.924 1.25 . . . . 1.0 114.066 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -59.54 -30.51 68.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -55.28 -44.09 75.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.287 1.035 . . . . 1.0 111.987 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -68.86 -45.31 71.39 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.826 -0.546 . . . . 1.0 111.227 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.82 -43.88 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.019 1.328 . . . . 1.0 112.205 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -59.96 -40.97 90.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.685 0.794 . . . . 1.0 111.355 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -64.36 -29.73 70.8 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.141 -0.933 . . . . 1.0 112.802 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.66 -44.08 85.44 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.131 1.332 . . . . 1.0 110.46 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.84 -45.12 71.94 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 123.644 0.777 . . . . 1.0 111.505 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.11 -39.06 77.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.793 0.724 . . . . 1.0 111.998 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -65.22 -33.57 76.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.813 1.245 . . . . 1.0 113.474 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -91.96 -22.71 19.86 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.947 1.299 . . . . 1.0 114.016 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 126.314 1.845 . . . . 1.0 110.953 -177.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 113.925 1.083 . . . . 1.0 113.925 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.55 12.86 2.75 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.836 1.254 . . . . 1.0 113.447 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.83 -7.93 51.27 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.764 1.394 . . . . 1.0 114.764 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.74 163.07 28.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.244 1.418 . . . . 1.0 112.714 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.6 172.62 43.69 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.469 1.033 . . . . 1.0 113.633 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -142.17 177.96 7.88 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.883 1.673 . . . . 1.0 111.553 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.31 173.61 43.69 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 126.287 1.899 . . . . 1.0 111.963 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.74 143.79 27.81 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 1.0 112.276 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.54 109.08 1.53 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.206 1.403 . . . . 1.0 112.93 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 tp -159.93 175.09 13.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.972 2.509 . . . . 1.0 107.68 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.12 -13.0 61.88 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.639 1.176 . . . . 1.0 113.893 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.4 164.66 48.69 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.974 2.51 . . . . 1.0 110.998 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.39 145.14 29.08 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.079 2.519 . . . . 1.0 112.314 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.17 21.71 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.509 1.124 . . . . 1.0 113.645 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.4 170.81 36.65 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.291 0.948 . . . . 1.0 113.741 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -55.8 -38.34 69.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.544 1.138 . . . . 1.0 113.273 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -61.63 -44.91 96.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.585 0.754 . . . . 1.0 112.325 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.07 76.64 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.114 0.565 . . . . 1.0 111.302 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.52 -44.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.004 0.522 . . . . 1.0 110.872 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.24 -47.82 84.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.626 -0.671 . . . . 1.0 110.809 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.67 0.668 . . . . 1.0 111.79 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.94 -40.69 85.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.418 1.087 . . . . 1.0 111.493 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.84 -48.39 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.033 0.933 . . . . 1.0 110.258 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -62.2 -40.79 97.24 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.477 1.035 . . . . 1.0 113.199 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.8 -15.09 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -134.35 36.99 3.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.146 1.378 . . . . 1.0 112.523 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.3 p -52.97 -20.18 3.21 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.737 1.754 . . . . 1.0 115.737 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -75.86 -20.51 58.04 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.73 1.612 . . . . 1.0 113.841 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.14 -19.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.021 1.489 . . . . 1.0 115.021 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -124.56 142.17 51.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.269 1.427 . . . . 1.0 109.301 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 p -145.82 172.74 12.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.472 1.109 . . . . 1.0 111.31 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.18 -11.77 44.07 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.469 0.914 . . . . 1.0 113.469 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.81 -1.15 3.07 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.656 1.724 . . . . 1.0 115.656 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -161.13 146.49 14.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.735 1.607 . . . . 1.0 113.493 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -117.35 114.44 23.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.876 1.271 . . . . 1.0 108.189 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -76.89 -31.57 56.84 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.71 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.227 0.611 . . . . 1.0 110.756 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.2 m -98.7 6.43 46.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.554 1.541 . . . . 1.0 112.724 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m 36.98 55.07 1.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 128.24 2.616 . . . . 1.0 113.276 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.98 143.02 42.59 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.403 1.081 . . . . 1.0 113.408 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.92 148.51 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.049 1.34 . . . . 1.0 109.511 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -126.68 71.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.487 2.315 . . . . 1.0 108.741 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -50.75 -21.6 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 116.907 2.188 . . . . 1.0 116.907 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -144.62 157.43 44.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.372 1.469 . . . . 1.0 110.948 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.85 -35.5 68.93 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.268 0.627 . . . . 1.0 112.388 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.37 -38.46 77.32 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.302 -0.874 . . . . 1.0 112.481 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -69.64 -42.7 73.94 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.719 0.807 . . . . 1.0 110.087 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.71 -47.48 85.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 1.0 110.963 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.02 -41.07 95.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.292 1.037 . . . . 1.0 111.819 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.6 -47.1 61.87 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.961 0.801 . . . . 1.0 112.786 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -61.55 -51.1 70.0 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.997 0.919 . . . . 1.0 112.762 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -68.13 -21.57 64.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -89.66 -15.84 31.76 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.038 0.835 . . . . 1.0 112.727 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 140.4 58.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 1.0 113.803 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.4 -32.6 74.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.833 0.853 . . . . 1.0 111.613 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.35 -42.22 96.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.985 0.914 . . . . 1.0 111.448 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -60.05 -48.93 79.66 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.142 0.577 . . . . 1.0 110.498 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.44 89.26 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.226 0.466 . . . . 1.0 112.167 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.21 -45.41 94.68 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.68 -0.637 . . . . 1.0 111.091 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.68 -43.3 99.12 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.211 1.004 . . . . 1.0 111.348 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.39 -44.29 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.995 0.918 . . . . 1.0 110.691 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -59.81 -43.07 94.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.636 1.107 . . . . 1.0 111.881 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -63.17 -46.21 88.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.05 0.94 . . . . 1.0 111.348 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.5 -43.45 97.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.645 1.178 . . . . 1.0 112.522 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.6 mmt -60.24 -34.58 73.89 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.052 0.941 . . . . 1.0 112.416 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -19.33 65.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.81 1.041 . . . . 1.0 113.81 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.68 -30.38 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.682 1.193 . . . . 1.0 110.762 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -72.09 94.5 1.52 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.252 1.421 . . . . 1.0 110.788 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -54.87 134.87 48.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.06 1.344 . . . . 1.0 112.889 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.63 -169.44 38.64 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.635 1.112 . . . . 1.0 112.807 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.99 40.24 0.15 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.4 1.88 . . . . 1.0 113.277 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -56.72 -16.41 6.35 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.043 1.868 . . . . 1.0 116.043 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 m -64.17 -13.64 49.85 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.326 1.45 . . . . 1.0 114.174 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.17 155.92 72.34 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 126.323 1.849 . . . . 1.0 111.375 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.9 64.14 5.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 124.464 3.443 . . . . 1.0 112.398 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.96 173.35 11.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.086 1.754 . . . . 1.0 112.4 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -68.47 168.91 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.268 1.427 . . . . 1.0 112.544 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -50.12 -35.79 27.2 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.294 1.838 . . . . 1.0 113.792 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -136.33 158.28 44.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.094 1.758 . . . . 1.0 111.218 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.05 66.68 0.84 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.517 1.527 . . . . 1.0 110.324 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.6 -12.29 51.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.976 1.31 . . . . 1.0 114.236 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -145.05 156.74 54.82 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.271 2.229 . . . . 1.0 109.88 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.18 101.94 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.532 2.821 . . . . 1.0 112.05 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.17 17.02 2.26 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.659 1.584 . . . . 1.0 113.315 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.12 155.33 37.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.718 1.207 . . . . 1.0 112.895 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.41 38.99 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 125.817 1.647 . . . . 1.0 109.809 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.8 p -119.17 -4.67 10.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.334 1.854 . . . . 1.0 114.599 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -136.38 14.33 3.23 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.181 1.793 . . . . 1.0 111.841 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.77 -178.65 45.57 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 127.55 2.5 . . . . 1.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.76 146.98 32.42 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.131 0.972 . . . . 1.0 111.258 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.43 -51.57 69.33 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.333 -0.854 . . . . 1.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 -65.42 -12.31 51.1 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.612 1.708 . . . . 1.0 115.612 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.1 p -96.82 -1.5 46.01 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.211 0.914 . . . . 1.0 113.201 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -134.74 -17.83 1.92 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.543 1.537 . . . . 1.0 114.192 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -142.43 159.05 42.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.502 1.521 . . . . 1.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -136.15 89.76 19.45 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.713 2.005 . . . . 1.0 108.684 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.13 -23.45 60.38 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.667 2.245 . . . . 1.0 113.339 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.05 -35.87 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.29 1.036 . . . . 1.0 110.96 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.8 m -109.3 -4.68 16.26 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.778 1.631 . . . . 1.0 113.975 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.06 59.39 4.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.769 2.828 . . . . 1.0 112.794 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.7 ptm -149.17 171.56 16.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.456 1.502 . . . . 1.0 112.948 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -128.45 168.79 15.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.111 1.764 . . . . 1.0 112.777 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -130.9 147.0 52.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.612 1.165 . . . . 1.0 113.328 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 p -69.07 -37.93 78.76 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 1.0 113.305 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 m -141.23 155.07 68.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 125.751 1.62 . . . . 1.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.46 -28.84 78.26 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.361 2.707 . . . . 1.0 114.178 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.97 -37.23 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 1.0 110.805 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.52 -42.91 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.846 0.858 . . . . 1.0 109.988 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.44 73.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.847 0.859 . . . . 1.0 112.913 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -39.24 93.52 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.42 -0.8 . . . . 1.0 112.109 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.6 m -64.19 -38.67 91.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.856 0.862 . . . . 1.0 112.139 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -61.92 -49.67 75.24 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.608 -0.683 . . . . 1.0 111.641 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -56.21 -14.7 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.27 6.17 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.099 1.36 . . . . 1.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.72 159.48 19.06 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.211 1.386 . . . . 1.0 113.766 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.02 -36.11 67.61 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.226 1.195 . . . . 1.0 114.226 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -56.13 -41.7 75.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.981 0.913 . . . . 1.0 111.807 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.19 -44.29 68.99 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.449 0.7 . . . . 1.0 110.968 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.22 -38.55 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.271 1.029 . . . . 1.0 111.982 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -59.05 -36.2 74.64 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.27 -0.894 . . . . 1.0 110.995 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -74.92 -34.78 62.18 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.219 -0.896 . . . . 1.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.3 -46.64 85.74 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.502 1.501 . . . . 1.0 109.909 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.858 1.263 . . . . 1.0 112.52 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 tp -73.89 -45.57 49.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.251 1.02 . . . . 1.0 110.949 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -60.54 -37.35 80.91 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.373 1.469 . . . . 1.0 111.976 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.05 -13.16 62.28 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.358 1.463 . . . . 1.0 112.727 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.239 0.548 0 C-N-CA 126.373 1.869 . . . . 1.0 110.631 -178.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.75 163.77 37.78 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.134 1.373 . . . . 1.0 112.689 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.99 167.71 27.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.821 1.648 . . . . 1.0 111.95 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -74.76 149.98 39.55 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 1.0 112.058 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.09 45.1 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.692 1.139 . . . . 1.0 113.44 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -151.92 170.35 20.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.626 1.57 . . . . 1.0 111.997 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.64 164.52 38.0 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.446 1.022 . . . . 1.0 113.314 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.76 174.77 14.52 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.936 1.694 . . . . 1.0 110.855 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 159.37 9.17 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.779 1.231 . . . . 1.0 112.094 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' CD1' ' H ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -146.28 179.61 7.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.208 1.403 . . . . 1.0 111.098 -177.245 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 24.9 t0 -137.99 48.77 1.97 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.867 3.267 . . . . 1.0 107.207 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.27 33.0 tp -58.12 -74.55 0.14 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 127.494 2.318 . . . . 1.0 111.373 -172.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 54' ' ' GLN . 74.0 Cg_endo -69.01 136.22 34.38 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 N-CA-C 106.201 -2.269 . . . . 1.0 106.201 167.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.52 125.27 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 1.0 112.799 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.4 175.89 27.38 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.773 1.177 . . . . 1.0 114.49 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.53 -38.59 87.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.489 0.716 . . . . 1.0 112.652 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -58.18 -46.18 86.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.722 1.209 . . . . 1.0 113.249 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.79 85.28 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.84 -0.538 . . . . 1.0 111.562 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.2 -43.49 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.098 0.559 . . . . 1.0 110.688 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.87 -44.17 94.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.783 0.833 . . . . 1.0 111.085 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.32 -44.08 92.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.338 0.655 . . . . 1.0 111.231 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.19 -42.54 91.1 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.331 1.452 . . . . 1.0 111.47 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.8 -49.67 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.798 0.839 . . . . 1.0 109.725 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.76 -46.62 84.27 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.336 1.454 . . . . 1.0 113.364 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.74 -15.47 63.15 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.455 1.102 . . . . 1.0 113.664 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -130.99 36.04 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.404 1.482 . . . . 1.0 112.385 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -54.12 -19.1 4.44 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.633 1.716 . . . . 1.0 115.633 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -75.38 -19.22 59.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.672 1.589 . . . . 1.0 113.648 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.7 pt -130.77 -19.33 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.0 1.481 . . . . 1.0 115.0 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -123.94 150.2 45.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.044 1.338 . . . . 1.0 109.965 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -149.01 173.51 13.28 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.034 0.933 . . . . 1.0 111.959 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -17.4 56.65 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.978 1.311 . . . . 1.0 113.503 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -135.87 0.32 2.65 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.804 1.779 . . . . 1.0 115.804 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -159.22 146.49 17.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.909 1.686 . . . . 1.0 113.539 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -117.75 115.45 25.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.986 1.314 . . . . 1.0 109.807 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.52 -37.9 65.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.285 0.846 . . . . 1.0 113.285 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.95 -40.85 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.462 1.105 . . . . 1.0 111.722 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.41 7.25 44.36 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.946 1.298 . . . . 1.0 112.022 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 p 34.1 52.49 0.48 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.327 3.051 . . . . 1.0 114.19 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.23 149.57 47.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.82 1.248 . . . . 1.0 113.516 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.89 148.05 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.222 1.409 . . . . 1.0 109.677 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.8 mt -122.55 75.04 1.22 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.631 2.372 . . . . 1.0 107.879 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 pt -51.66 -19.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 117.192 2.293 . . . . 1.0 117.192 -173.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 t -154.16 164.12 39.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.817 1.247 . . . . 1.0 111.04 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.5 -38.06 74.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.798 0.839 . . . . 1.0 112.766 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 p -61.58 -39.54 91.54 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.807 1.185 . . . . 1.0 112.335 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -67.92 -43.81 78.32 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.858 -0.526 . . . . 1.0 110.316 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -59.3 -47.76 84.16 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.594 0.634 . . . . 1.0 111.324 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.32 -54.07 50.09 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.375 1.07 . . . . 1.0 110.492 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.39 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.402 0.89 . . . . 1.0 113.402 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -66.25 -51.36 58.31 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.801 -0.562 . . . . 1.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.22 -26.52 63.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 52.9 mt-30 -69.09 -27.94 66.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.897 1.073 . . . . 1.0 113.897 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -75.51 147.46 39.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -27.52 68.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.816 1.646 . . . . 1.0 111.817 174.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.66 -43.19 94.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.083 1.353 . . . . 1.0 111.222 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -60.21 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.17 0.588 . . . . 1.0 110.29 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.94 73.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.608 0.596 . . . . 1.0 112.608 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.64 -42.51 82.15 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.202 -0.936 . . . . 1.0 111.152 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.55 -36.67 84.49 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.5 -0.75 . . . . 1.0 110.952 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.21 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.227 0.921 . . . . 1.0 109.988 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -57.99 -43.51 86.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.888 . . . . 1.0 111.641 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.85 -45.48 82.03 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.169 0.988 . . . . 1.0 111.706 176.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.25 -42.5 99.2 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.739 1.216 . . . . 1.0 111.932 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.1 mmt -61.63 -35.02 76.7 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.226 -0.921 . . . . 1.0 112.009 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.31 -13.02 61.61 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.07 -28.91 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.118 0.967 . . . . 1.0 110.454 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -61.63 151.43 33.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.618 0.767 . . . . 1.0 112.357 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -60.81 149.21 36.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.06 -176.58 43.76 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.806 1.193 . . . . 1.0 113.185 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.73 166.39 30.55 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.486 1.514 . . . . 1.0 112.211 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.84 141.18 58.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.197 0.999 . . . . 1.0 111.97 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -152.8 -179.91 8.06 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.433 1.093 . . . . 1.0 112.711 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.79 142.31 27.82 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.993 1.717 . . . . 1.0 111.143 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.75 -8.95 24.91 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.148 2.565 . . . . 1.0 114.371 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -20.11 9.4 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.291 1.437 . . . . 1.0 114.38 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -58.22 -19.93 37.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 1.0 113.598 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -119.06 29.85 7.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.927 2.091 . . . . 1.0 111.633 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -139.57 178.09 7.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.072 1.749 . . . . 1.0 111.539 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.0 58.39 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.656 2.382 . . . . 1.0 112.783 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.2 163.47 32.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.961 1.704 . . . . 1.0 112.289 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.47 149.61 97.91 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.339 1.056 . . . . 1.0 113.13 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.17 165.88 31.49 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.674 2.916 . . . . 1.0 112.411 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.83 140.25 58.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.848 0.859 . . . . 1.0 112.319 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -156.85 156.48 33.26 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.582 1.553 . . . . 1.0 110.627 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.5 142.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.256 1.022 . . . . 1.0 110.772 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.5 p -138.89 175.95 9.11 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.493 1.917 . . . . 1.0 110.872 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 122.66 13.19 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.397 -0.814 . . . . 1.0 112.559 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.65 -174.19 46.7 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.586 1.089 . . . . 1.0 113.024 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.96 -27.08 2.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.561 1.689 . . . . 1.0 115.561 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.96 -19.17 28.48 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.691 1.196 . . . . 1.0 113.616 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -133.91 17.89 3.83 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.582 1.553 . . . . 1.0 114.67 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p -145.59 23.93 1.41 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.029 1.862 . . . . 1.0 116.029 -175.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.23 -15.63 4.12 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.549 1.685 . . . . 1.0 115.549 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.9 t -145.15 157.04 44.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.965 1.306 . . . . 1.0 111.769 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -140.58 88.02 11.21 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.267 1.427 . . . . 1.0 110.908 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.63 -27.19 82.12 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.59 2.86 . . . . 1.0 113.973 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.41 -28.14 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.886 1.674 . . . . 1.0 112.075 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.25 -8.68 9.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.976 1.711 . . . . 1.0 113.485 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.11 57.94 3.78 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 128.911 2.884 . . . . 1.0 111.602 -176.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.5 mtm -137.01 169.13 18.3 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.306 1.442 . . . . 1.0 112.946 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 39.6 p -132.02 161.07 34.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.478 1.911 . . . . 1.0 110.824 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -131.12 142.49 50.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.973 0.909 . . . . 1.0 112.635 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -80.08 -10.77 59.79 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.259 1.424 . . . . 1.0 114.37 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 t -151.09 145.57 18.23 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 125.563 1.545 . . . . 1.0 111.111 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -64.69 -26.21 61.06 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.776 2.317 . . . . 1.0 112.501 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -66.23 -39.52 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.445 0.698 . . . . 1.0 110.449 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.67 -43.91 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.809 0.843 . . . . 1.0 109.914 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.01 74.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.409 0.684 . . . . 1.0 111.715 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.63 -42.26 87.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.829 0.851 . . . . 1.0 111.752 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 t -64.92 -43.31 93.21 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.554 0.742 . . . . 1.0 111.286 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -61.96 -48.85 78.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.996 0.919 . . . . 1.0 112.864 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -56.92 -17.38 9.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.009 1.485 . . . . 1.0 115.009 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -113.71 3.69 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.056 1.343 . . . . 1.0 113.469 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.03 158.04 24.61 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.585 1.088 . . . . 1.0 113.496 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.55 -30.54 68.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.63 0.974 . . . . 1.0 113.63 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.9 m -59.36 -42.54 91.84 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.248 1.019 . . . . 1.0 111.53 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -65.47 -44.09 88.23 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.529 0.731 . . . . 1.0 110.982 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.74 -41.69 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.828 1.251 . . . . 1.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.64 -39.69 85.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.178 0.991 . . . . 1.0 111.411 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.95 -27.79 69.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 118.643 -0.694 . . . . 1.0 112.697 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.74 -46.55 89.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.742 1.155 . . . . 1.0 109.719 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -64.81 -36.23 83.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.26 1.024 . . . . 1.0 111.326 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.79 83.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.731 0.812 . . . . 1.0 110.422 176.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -43.59 97.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.146 0.978 . . . . 1.0 111.996 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.48 -35.31 80.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.178 0.991 . . . . 1.0 112.86 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 C--O 1.238 0.489 0 C-N-CA 125.88 1.672 . . . . 1.0 110.438 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 113.595 0.961 . . . . 1.0 113.595 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -147.16 153.05 39.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.242 1.417 . . . . 1.0 111.477 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -73.98 -9.62 58.82 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.712 1.375 . . . . 1.0 114.712 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -131.66 165.24 24.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.28 1.432 . . . . 1.0 112.906 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.04 -178.34 45.76 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.444 1.497 . . . . 1.0 113.093 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -61.07 151.05 31.96 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.434 1.094 . . . . 1.0 113.462 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.82 -156.96 28.88 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.745 1.164 . . . . 1.0 112.962 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.62 -13.36 41.52 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.791 1.636 . . . . 1.0 114.252 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.93 174.03 0.18 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.029 2.132 . . . . 1.0 115.823 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -143.16 133.03 24.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.016 2.126 . . . . 1.0 108.525 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -112.07 40.11 2.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.645 1.578 . . . . 1.0 112.716 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.53 154.06 57.53 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.285 1.034 . . . . 1.0 112.582 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.89 143.82 29.15 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.592 2.861 . . . . 1.0 114.715 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.39 25.17 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.064 1.345 . . . . 1.0 112.076 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -175.69 168.31 40.59 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.133 1.349 . . . . 1.0 113.48 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -56.22 -43.4 78.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.086 1.354 . . . . 1.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.88 -43.81 87.22 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.036 0.934 . . . . 1.0 112.085 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.76 98.12 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.312 0.486 . . . . 1.0 112.312 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.5 t -65.89 -46.75 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.816 0.735 . . . . 1.0 111.232 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -65.59 -37.51 86.86 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.668 -0.645 . . . . 1.0 111.817 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -65.52 -44.07 88.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.165 0.586 . . . . 1.0 111.408 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.13 -42.27 98.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.846 0.858 . . . . 1.0 111.384 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.89 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.841 0.857 . . . . 1.0 109.997 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -59.19 -44.43 92.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.397 1.079 . . . . 1.0 113.17 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.63 -14.2 61.54 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.142 1.164 . . . . 1.0 114.142 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -134.5 39.25 3.05 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.052 1.341 . . . . 1.0 112.524 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.6 p -53.38 -18.57 2.68 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.543 1.682 . . . . 1.0 115.543 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.51 -21.18 56.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.755 1.622 . . . . 1.0 113.894 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.85 -19.54 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 114.983 1.475 . . . . 1.0 114.983 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -123.95 149.08 46.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.335 1.454 . . . . 1.0 109.377 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -151.85 169.49 22.14 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.109 0.964 . . . . 1.0 111.791 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.89 -19.3 50.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.766 1.227 . . . . 1.0 113.958 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.8 p -133.64 3.39 3.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.786 1.772 . . . . 1.0 115.786 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.84 145.86 10.87 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.643 1.565 . . . . 1.0 113.472 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -117.26 116.47 27.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.415 1.486 . . . . 1.0 109.259 173.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -76.96 -33.19 57.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.713 1.005 . . . . 1.0 113.713 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.11 -40.54 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.148 0.886 . . . . 1.0 110.588 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -98.99 6.6 46.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.704 1.202 . . . . 1.0 112.619 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m 36.84 55.63 1.19 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.387 2.675 . . . . 1.0 113.432 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.16 143.2 42.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.283 1.033 . . . . 1.0 113.465 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.89 146.98 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.982 1.313 . . . . 1.0 109.488 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -124.37 75.17 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.406 2.282 . . . . 1.0 108.855 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 pt -53.29 -15.75 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -155.51 160.43 40.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.055 1.342 . . . . 1.0 110.829 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.65 -34.69 69.62 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.95 0.9 . . . . 1.0 112.376 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -62.5 -41.49 98.86 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 1.0 111.904 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.42 -41.73 79.95 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.613 0.765 . . . . 1.0 110.431 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -60.21 -47.64 85.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.405 0.682 . . . . 1.0 110.642 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.6 -44.66 96.01 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.717 1.207 . . . . 1.0 111.476 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.91 86.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.78 0.718 . . . . 1.0 112.185 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.88 -51.29 62.8 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.49 0.552 . . . . 1.0 112.49 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -68.45 -27.75 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.837 1.051 . . . . 1.0 113.837 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -82.86 -15.04 53.09 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.499 1.045 . . . . 1.0 112.825 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -64.45 138.85 58.64 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.712 1.004 . . . . 1.0 113.712 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -62.44 -32.64 73.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.94 0.896 . . . . 1.0 111.484 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -61.89 -45.27 94.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.191 0.996 . . . . 1.0 111.212 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -63.76 -49.66 72.12 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.473 0.709 . . . . 1.0 110.653 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.51 91.81 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.49 -47.03 85.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.616 0.767 . . . . 1.0 111.093 176.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.47 -41.19 96.86 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.341 0.519 . . . . 1.0 111.611 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.83 -45.0 99.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.675 0.79 . . . . 1.0 111.118 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -59.49 -43.26 93.35 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.489 1.041 . . . . 1.0 111.399 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -64.93 -45.36 86.15 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.652 1.181 . . . . 1.0 111.756 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.7 -44.59 95.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.699 1.6 . . . . 1.0 111.751 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.4 mmt -61.51 -35.6 78.17 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.358 -0.839 . . . . 1.0 112.016 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.83 -12.05 61.11 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.008 1.114 . . . . 1.0 114.008 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.3 mm -71.83 -28.46 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.51 1.05 . . . . 1.0 111.109 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -54.52 119.96 5.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.688 0.795 . . . . 1.0 112.007 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -73.64 161.26 30.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.027 0.931 . . . . 1.0 112.489 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.01 176.75 48.17 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.547 1.07 . . . . 1.0 113.743 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -140.84 14.48 2.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.089 1.356 . . . . 1.0 113.637 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -138.66 35.18 2.21 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.866 1.666 . . . . 1.0 111.725 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.7 m -55.28 149.14 13.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.856 1.662 . . . . 1.0 113.919 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.39 135.73 75.63 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.299 1.039 . . . . 1.0 111.323 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -72.02 -7.01 20.24 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.261 2.641 . . . . 1.0 114.497 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.12 -12.2 59.34 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.11 1.522 . . . . 1.0 115.11 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -63.2 156.35 25.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.683 1.193 . . . . 1.0 112.524 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.84 156.14 21.41 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.029 1.332 . . . . 1.0 113.391 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -71.31 -19.65 62.29 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.372 1.469 . . . . 1.0 113.847 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -58.96 135.58 57.64 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.678 1.591 . . . . 1.0 112.066 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.92 28.85 1.12 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.969 1.308 . . . . 1.0 113.251 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 148.08 69.03 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.172 0.989 . . . . 1.0 112.994 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.68 134.6 40.81 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.164 3.242 . . . . 1.0 114.861 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.92 13.03 1.0 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.403 1.481 . . . . 1.0 113.143 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -154.02 -179.88 8.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.323 1.849 . . . . 1.0 111.406 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 87' ' ' ILE . 3.0 mp -77.49 60.34 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.344 1.458 . . . . 1.0 110.414 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.0 m -58.49 -19.01 33.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.648 1.579 . . . . 1.0 114.874 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.59 -30.81 71.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.644 1.177 . . . . 1.0 113.494 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.72 171.36 22.78 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.646 1.117 . . . . 1.0 114.324 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.9 149.38 31.79 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.124 1.37 . . . . 1.0 113.05 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -141.19 -52.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.433 1.093 . . . . 1.0 113.825 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -152.8 -44.19 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.998 2.119 . . . . 1.0 111.54 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -64.8 -4.69 4.65 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.821 1.785 . . . . 1.0 115.821 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -135.5 -14.18 1.96 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.983 1.713 . . . . 1.0 114.713 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.4 p -150.03 162.81 39.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.81 1.411 . . . . 1.0 114.81 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.9 t -146.16 95.22 4.78 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.107 1.763 . . . . 1.0 110.307 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.28 -25.0 31.23 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.756 2.304 . . . . 1.0 113.293 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.81 -28.2 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.818 1.247 . . . . 1.0 111.52 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -121.27 1.3 10.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.428 1.891 . . . . 1.0 114.364 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.29 9.1 p30 45.95 54.16 8.3 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 129.087 2.955 . . . . 1.0 113.893 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.48 168.34 18.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.454 1.501 . . . . 1.0 112.884 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -130.96 160.26 35.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.455 1.902 . . . . 1.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -131.19 144.72 51.56 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.962 1.305 . . . . 1.0 111.794 -176.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 p -72.27 -35.19 68.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 m -144.79 156.63 55.74 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.219 1.407 . . . . 1.0 112.305 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.56 -41.58 44.35 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.991 3.127 . . . . 1.0 115.22 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.1 t -63.56 -34.24 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.567 -0.708 . . . . 1.0 112.029 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.76 -40.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.639 0.776 . . . . 1.0 109.69 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.66 77.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.049 0.54 . . . . 1.0 110.802 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.44 -43.06 88.62 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.584 -0.698 . . . . 1.0 111.123 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.9 m -59.78 -35.94 75.68 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.881 0.872 . . . . 1.0 112.127 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.1 -50.32 29.08 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.231 0.469 . . . . 1.0 111.122 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -60.7 -38.91 86.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.109 1.151 . . . . 1.0 114.109 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -81.34 -16.2 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.077 0.853 . . . . 1.0 113.214 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.97 161.78 33.42 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.524 1.059 . . . . 1.0 113.857 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.91 -21.09 66.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.977 1.102 . . . . 1.0 113.977 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 m -55.01 -44.06 74.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.57 1.148 . . . . 1.0 111.522 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -70.37 -44.91 67.1 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.592 0.757 . . . . 1.0 111.766 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.99 -34.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.179 1.392 . . . . 1.0 112.235 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.01 -43.47 77.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 1.0 110.318 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -70.45 -39.31 74.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.563 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.98 -47.85 67.9 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.649 1.568 . . . . 1.0 110.76 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.38 -44.1 92.82 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.296 1.038 . . . . 1.0 111.875 177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.77 -38.33 88.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.807 0.843 . . . . 1.0 112.616 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.05 -40.29 82.85 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.742 0.817 . . . . 1.0 111.18 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.31 -32.68 66.78 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.743 0.817 . . . . 1.0 112.765 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.635 1.574 . . . . 1.0 110.86 -179.886 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 113.743 1.016 . . . . 1.0 113.743 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.2 -25.08 63.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.586 1.155 . . . . 1.0 113.428 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.29 -16.96 57.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.07 1.348 . . . . 1.0 112.854 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -133.24 30.29 3.92 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.54 1.936 . . . . 1.0 111.378 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.37 -168.6 19.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.432 1.492 . . . . 1.0 113.551 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -153.38 127.94 9.34 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.529 1.131 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -22.38 63.28 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.339 0.971 . . . . 1.0 114.459 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.28 -14.87 62.66 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.948 1.299 . . . . 1.0 113.81 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 26.84 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.216 1.806 . . . . 1.0 114.743 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -133.24 125.89 30.34 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.078 2.151 . . . . 1.0 109.39 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -129.73 20.13 5.57 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.738 1.755 . . . . 1.0 115.738 -172.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.25 162.17 34.85 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 123.952 0.901 . . . . 1.0 112.525 178.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.45 154.09 72.56 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.277 1.985 . . . . 1.0 112.2 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.77 26.04 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 122.427 1.108 . . . . 1.0 113.023 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.11 161.96 32.32 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.838 1.209 . . . . 1.0 113.053 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.86 -41.44 74.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.762 1.225 . . . . 1.0 113.077 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.897 0.879 . . . . 1.0 112.113 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.82 80.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 1.0 111.075 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.31 -45.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.019 0.528 . . . . 1.0 110.531 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -58.99 -45.3 90.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.498 0.719 . . . . 1.0 111.417 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.1 m -64.19 -43.38 95.25 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.421 0.689 . . . . 1.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.1 -43.89 91.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.476 1.11 . . . . 1.0 111.402 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.89 -48.7 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.109 0.963 . . . . 1.0 110.049 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.04 -47.4 81.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.019 1.327 . . . . 1.0 112.643 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -15.87 62.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.526 1.13 . . . . 1.0 114.044 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -132.34 39.85 3.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.568 1.147 . . . . 1.0 113.769 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -54.16 -19.1 4.52 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.441 1.645 . . . . 1.0 115.441 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -77.77 -15.2 59.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.459 1.904 . . . . 1.0 114.135 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.3 pt -135.14 -20.86 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.631 1.345 . . . . 1.0 114.631 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -124.28 148.34 47.47 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.417 1.487 . . . . 1.0 109.283 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.8 p -152.11 171.81 17.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.858 0.837 . . . . 1.0 112.488 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.61 -20.28 60.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.108 1.363 . . . . 1.0 114.266 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -134.7 2.55 3.19 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.673 1.731 . . . . 1.0 115.673 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -161.83 146.2 12.76 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.481 1.491 . . . . 1.0 113.198 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.9 t -117.29 114.92 24.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.981 1.312 . . . . 1.0 109.361 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.58 -38.9 65.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.321 1.448 . . . . 1.0 114.034 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.26 -40.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 118.868 0.758 . . . . 1.0 111.091 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -97.23 0.86 48.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.971 1.308 . . . . 1.0 112.592 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m 37.37 55.73 1.38 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.487 2.715 . . . . 1.0 112.829 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.05 144.5 43.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.918 1.287 . . . . 1.0 112.901 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.84 146.69 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.939 1.296 . . . . 1.0 109.961 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.91 72.3 1.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.544 2.338 . . . . 1.0 108.579 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 pt -51.84 -21.79 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 117.133 2.272 . . . . 1.0 117.133 -174.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -145.62 157.32 43.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.295 1.438 . . . . 1.0 111.157 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.94 -40.49 76.5 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.466 -0.771 . . . . 1.0 112.438 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -60.64 -39.77 89.54 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.278 0.945 . . . . 1.0 111.988 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -66.11 -41.99 89.81 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.238 1.015 . . . . 1.0 110.665 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -61.76 -47.79 83.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.61 0.764 . . . . 1.0 110.537 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.15 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.292 1.037 . . . . 1.0 111.571 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.62 76.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.596 0.634 . . . . 1.0 112.073 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -61.54 -51.58 68.02 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.592 0.633 . . . . 1.0 112.593 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -65.6 -29.14 69.69 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.443 0.905 . . . . 1.0 113.443 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.92 -9.48 53.52 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.793 1.035 . . . . 1.0 113.793 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 m -74.63 141.56 44.64 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.12 -0.987 . . . . 1.0 112.339 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -57.09 -32.92 66.77 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.245 1.018 . . . . 1.0 113.221 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -59.94 -39.87 87.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.675 1.19 . . . . 1.0 112.179 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -66.17 -48.99 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.514 0.726 . . . . 1.0 110.245 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.18 85.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.048 0.539 . . . . 1.0 111.997 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.41 -47.34 86.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.415 0.686 . . . . 1.0 111.428 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.43 -38.48 91.18 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.905 -0.569 . . . . 1.0 112.431 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.13 -44.96 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.164 0.893 . . . . 1.0 110.56 174.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -61.12 -43.11 99.39 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.376 0.989 . . . . 1.0 111.789 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -61.97 -45.08 95.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.819 0.848 . . . . 1.0 111.145 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.5 -48.48 81.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.492 0.717 . . . . 1.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.0 mmt -57.47 -35.97 70.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.295 1.038 . . . . 1.0 112.57 177.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.96 72.4 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.73 0.812 . . . . 1.0 112.447 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.7 mt -72.89 -46.88 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.252 1.021 . . . . 1.0 109.654 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.72 148.0 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.27 1.428 . . . . 1.0 111.242 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.24 155.68 38.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.637 -0.664 . . . . 1.0 111.262 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.63 3.5 0.2 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.305 0.955 . . . . 1.0 115.441 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -137.83 3.77 2.5 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.54 1.536 . . . . 1.0 112.311 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -147.83 146.06 28.97 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.794 1.638 . . . . 1.0 111.503 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.0 m -155.3 19.85 0.42 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.132 2.173 . . . . 1.0 111.779 178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.55 131.25 80.29 Favored Pre-proline 0 N--CA 1.479 0.995 0 O-C-N 120.785 -1.197 . . . . 1.0 110.969 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -76.5 51.76 3.38 Favored 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 125.052 3.835 . . . . 1.0 112.721 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.37 -11.21 20.9 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.758 1.623 . . . . 1.0 115.366 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -73.97 58.1 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.1 2.16 . . . . 1.0 112.307 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -141.26 174.84 10.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.232 1.813 . . . . 1.0 113.363 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -61.98 154.83 25.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.7 1.6 . . . . 1.0 112.788 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -88.68 148.99 23.73 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.955 1.302 . . . . 1.0 111.297 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.71 142.67 56.24 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.781 0.833 . . . . 1.0 112.484 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.67 146.4 64.88 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.981 0.912 . . . . 1.0 112.034 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.45 147.7 41.66 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.189 2.592 . . . . 1.0 112.46 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.39 16.78 0.92 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.144 1.378 . . . . 1.0 113.416 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -76.74 -2.4 32.84 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.369 1.618 . . . . 1.0 115.369 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.7 mt -135.01 130.41 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.575 1.55 . . . . 1.0 109.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.4 p -149.8 -14.61 0.27 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.187 1.395 . . . . 1.0 114.432 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -66.84 -21.99 66.01 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.872 1.669 . . . . 1.0 115.004 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.31 -7.34 53.52 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.451 1.34 . . . . 1.0 116.451 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.98 -31.3 70.89 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.129 1.964 . . . . 1.0 111.491 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.27 -17.29 2.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.609 2.363 . . . . 1.0 114.037 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -126.47 11.71 7.43 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.802 1.641 . . . . 1.0 113.33 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -127.13 -32.82 2.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.781 1.233 . . . . 1.0 112.963 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.04 -15.06 20.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.949 1.299 . . . . 1.0 111.888 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -150.53 172.36 15.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.665 1.986 . . . . 1.0 112.228 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -136.54 102.11 9.69 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.672 1.989 . . . . 1.0 108.609 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.35 -19.11 25.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.064 2.509 . . . . 1.0 114.247 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.67 -41.73 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.161 0.891 . . . . 1.0 110.286 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.08 -12.33 20.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.003 1.321 . . . . 1.0 113.34 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.85 59.54 3.13 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.27 2.628 . . . . 1.0 112.022 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtm -133.58 167.73 19.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.545 1.538 . . . . 1.0 112.545 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.4 p -122.82 157.53 32.26 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.178 1.791 . . . . 1.0 111.782 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.27 147.15 52.55 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.192 1.397 . . . . 1.0 112.944 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.1 p -81.04 -15.28 56.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.668 1.187 . . . . 1.0 113.809 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -157.49 147.87 15.93 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.998 1.719 . . . . 1.0 111.192 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.01 -21.61 73.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.111 2.54 . . . . 1.0 112.841 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.88 -38.11 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.421 -0.799 . . . . 1.0 109.939 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 t -65.22 -41.78 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.756 0.822 . . . . 1.0 110.248 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.34 78.03 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.288 0.635 . . . . 1.0 111.203 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.31 -43.39 92.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.408 0.683 . . . . 1.0 112.177 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.2 m -67.46 -38.48 84.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.23 0.612 . . . . 1.0 112.057 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.44 -47.29 84.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.343 1.057 . . . . 1.0 112.043 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.63 -22.05 63.38 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.833 1.419 . . . . 1.0 114.833 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.3 pt -101.11 3.6 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.343 1.057 . . . . 1.0 112.952 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.49 155.72 18.95 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.269 1.414 . . . . 1.0 112.86 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.89 -30.96 64.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.101 1.149 . . . . 1.0 114.101 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.0 m -56.83 -44.29 81.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.077 0.951 . . . . 1.0 112.153 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.17 -43.43 70.85 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.679 -0.638 . . . . 1.0 111.343 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.67 -42.28 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.904 1.281 . . . . 1.0 111.202 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.29 -44.56 92.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.238 1.015 . . . . 1.0 110.613 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -63.08 -29.75 71.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 117.986 -1.007 . . . . 1.0 113.1 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.1 -46.11 79.2 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.547 1.521 . . . . 1.0 110.42 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -66.09 -41.72 90.29 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.709 1.204 . . . . 1.0 111.725 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -43.32 99.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.192 0.597 . . . . 1.0 112.055 177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -71.16 -38.65 72.18 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.613 0.765 . . . . 1.0 112.415 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -35.75 77.53 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.749 0.819 . . . . 1.0 112.065 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 126.114 1.766 . . . . 1.0 109.977 -179.742 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.241 0 CA-C-O 122.113 0.84 . . . . 1.0 114.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.94 -39.87 72.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.21 1.404 . . . . 1.0 114.092 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.34 -44.03 97.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.322 0.649 . . . . 1.0 111.984 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.79 80.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.034 0.534 . . . . 1.0 111.458 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.29 0.495 . . . . 1.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.17 -43.15 99.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.966 0.803 . . . . 1.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 m -62.55 -44.32 96.63 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.858 -0.526 . . . . 1.0 111.347 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.44 -41.6 94.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.713 1.205 . . . . 1.0 111.748 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.9 -50.09 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.09 0.956 . . . . 1.0 110.045 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.85 -42.45 99.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.697 0.799 . . . . 1.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.73 -13.79 62.2 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.779 1.029 . . . . 1.0 113.779 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -133.06 37.01 3.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.342 1.457 . . . . 1.0 112.177 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -52.95 -19.5 2.65 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.574 1.694 . . . . 1.0 115.574 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -75.81 -21.09 57.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.681 1.593 . . . . 1.0 113.746 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.4 pt -130.93 -19.94 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.147 1.536 . . . . 1.0 115.147 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -123.12 149.6 44.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.567 1.547 . . . . 1.0 109.444 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -151.3 169.6 21.56 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.267 1.027 . . . . 1.0 111.633 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.38 -15.14 23.24 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.983 1.313 . . . . 1.0 114.187 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -143.2 10.47 1.71 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -162.26 142.81 10.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 119.921 -1.737 . . . . 1.0 112.693 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.05 114.67 24.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 1.0 108.542 173.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -73.79 -36.1 64.98 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.585 0.754 . . . . 1.0 112.964 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.1 t -55.66 -43.35 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.973 0.909 . . . . 1.0 111.142 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -97.05 2.67 51.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.289 1.436 . . . . 1.0 112.649 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 38.5 55.63 1.85 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.21 2.604 . . . . 1.0 112.601 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.54 143.32 43.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.791 1.236 . . . . 1.0 112.826 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.39 148.56 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.821 1.248 . . . . 1.0 109.561 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.0 mt -125.33 72.49 1.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.812 2.445 . . . . 1.0 108.414 -175.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -14.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 116.896 2.184 . . . . 1.0 116.896 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -152.68 158.57 42.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.07 1.348 . . . . 1.0 110.879 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -57.19 -35.66 69.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.112 0.965 . . . . 1.0 112.523 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -62.09 -39.67 93.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.834 1.197 . . . . 1.0 112.165 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -69.12 -41.21 77.67 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.674 -0.641 . . . . 1.0 110.41 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -59.96 -47.6 85.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.963 0.801 . . . . 1.0 111.121 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.38 -41.67 98.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.951 1.3 . . . . 1.0 111.459 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.17 71.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.618 0.645 . . . . 1.0 112.3 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.11 -51.31 67.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.703 0.683 . . . . 1.0 112.445 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -66.49 -19.25 65.74 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -100.21 -5.49 27.57 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.636 1.174 . . . . 1.0 112.565 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 t -67.26 142.75 56.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.46 1.104 . . . . 1.0 112.99 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.8 mmt-85 -65.01 -32.36 74.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.855 0.862 . . . . 1.0 111.234 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -65.3 -45.29 84.97 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.032 0.933 . . . . 1.0 110.96 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.015 0.926 . . . . 1.0 110.912 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.29 86.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.765 0.654 . . . . 1.0 112.765 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -63.92 -43.58 95.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.722 -0.611 . . . . 1.0 110.879 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -60.35 -43.81 96.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.689 0.796 . . . . 1.0 111.368 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 124.288 1.035 . . . . 1.0 110.782 175.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.19 1.182 . . . . 1.0 114.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -129.76 -23.05 2.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.738 1.384 . . . . 1.0 114.738 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.79 163.94 37.42 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.27 1.395 . . . . 1.0 114.501 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -136.22 108.15 9.56 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 125.204 1.402 . . . . 1.0 110.493 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.22 -19.46 25.85 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.144 2.562 . . . . 1.0 114.236 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.5 -41.58 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.272 0.942 . . . . 1.0 109.968 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 57.2 m -95.59 -16.7 21.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.957 1.303 . . . . 1.0 113.36 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.79 56.23 4.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.762 2.425 . . . . 1.0 111.346 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.8 mtm -135.13 167.19 21.43 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.572 1.549 . . . . 1.0 112.723 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.4 p -126.65 159.28 34.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.301 1.84 . . . . 1.0 111.262 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -131.11 144.96 51.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.356 1.462 . . . . 1.0 111.107 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.5 p -69.2 -39.64 78.51 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.302 1.223 . . . . 1.0 114.302 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.3 t -139.77 149.38 59.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.596 1.558 . . . . 1.0 111.959 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.39 -37.75 25.73 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 124.094 3.196 . . . . 1.0 114.856 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.29 -35.65 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 119.106 0.866 . . . . 1.0 112.039 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.08 -41.51 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.779 0.831 . . . . 1.0 109.689 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.72 91.01 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.188 0.595 . . . . 1.0 111.529 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.44 -43.29 93.16 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.542 -0.724 . . . . 1.0 110.609 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.4 m -63.45 -40.01 96.0 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.111 0.964 . . . . 1.0 111.802 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.44 -50.54 69.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.713 0.805 . . . . 1.0 111.683 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -61.17 -14.79 27.63 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.2 1.555 . . . . 1.0 115.2 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.74 1.53 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.933 1.293 . . . . 1.0 113.334 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.08 170.02 14.84 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.879 1.228 . . . . 1.0 114.635 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.62 -29.99 64.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.554 1.141 . . . . 1.0 113.943 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.5 m -53.21 -44.18 67.81 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.403 1.081 . . . . 1.0 111.889 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.49 -46.04 64.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.047 0.539 . . . . 1.0 111.545 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.86 -40.59 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.841 1.257 . . . . 1.0 112.462 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -57.95 -36.88 73.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.236 1.014 . . . . 1.0 111.103 174.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 . . . . . 0 CA--C 1.541 0.629 0 CA-C-O 118.09 -0.957 . . . . 1.0 112.724 176.346 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 112.773 -0.131 . . . . 1.0 112.773 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -56.07 -37.5 69.38 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.4 -44.89 95.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.339 0.655 . . . . 1.0 111.664 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.55 80.25 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.148 0.579 . . . . 1.0 111.332 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.78 -43.08 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.353 0.661 . . . . 1.0 110.68 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.93 -47.18 86.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.792 0.837 . . . . 1.0 111.353 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.6 m -63.97 -42.03 97.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.226 0.466 . . . . 1.0 111.643 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.97 -43.23 95.23 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.388 1.075 . . . . 1.0 111.375 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.13 -47.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.063 0.945 . . . . 1.0 110.007 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.33 -47.13 84.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.254 1.021 . . . . 1.0 112.496 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.14 -14.11 61.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -131.42 35.24 3.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.252 1.421 . . . . 1.0 112.622 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -53.43 -22.45 7.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.128 1.529 . . . . 1.0 115.128 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -74.01 -12.68 60.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.078 1.751 . . . . 1.0 113.936 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.33 -24.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.041 1.497 . . . . 1.0 115.041 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -120.18 150.74 40.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.989 1.316 . . . . 1.0 110.042 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.8 p -154.06 169.1 24.32 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.395 1.078 . . . . 1.0 112.022 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.09 -19.34 43.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.228 1.411 . . . . 1.0 114.085 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.6 p -134.68 3.08 3.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.893 1.812 . . . . 1.0 115.893 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -161.96 144.84 11.79 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 1.0 113.327 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.14 114.91 24.38 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.163 1.385 . . . . 1.0 109.115 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -78.78 -32.04 46.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.7 -32.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 118.996 0.816 . . . . 1.0 111.269 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -108.45 9.12 27.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.017 1.327 . . . . 1.0 112.568 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m 34.96 55.45 0.74 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.427 2.691 . . . . 1.0 113.804 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.09 144.76 43.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.364 1.066 . . . . 1.0 113.287 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 t -91.21 148.48 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.8 1.24 . . . . 1.0 109.228 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 mt -130.35 67.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.459 2.304 . . . . 1.0 108.574 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 pt -63.33 -9.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -137.64 150.13 47.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.265 1.426 . . . . 1.0 110.951 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.13 -37.95 75.6 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.675 -0.641 . . . . 1.0 112.268 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.2 p -60.07 -40.28 89.0 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.341 -0.849 . . . . 1.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.89 -45.09 87.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.086 0.554 . . . . 1.0 110.286 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -61.22 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.293 0.637 . . . . 1.0 111.448 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.45 -42.73 98.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.947 0.899 . . . . 1.0 111.877 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.71 -42.09 74.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.305 0.957 . . . . 1.0 112.176 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.92 -51.54 63.99 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.765 -0.584 . . . . 1.0 112.165 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -68.11 -17.9 64.5 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.162 1.171 . . . . 1.0 114.162 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.95 -8.32 28.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.485 1.114 . . . . 1.0 113.3 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -74.74 145.94 42.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.71 -27.87 69.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.519 1.127 . . . . 1.0 112.359 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -61.04 -43.03 99.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.766 0.826 . . . . 1.0 110.906 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -62.5 -46.2 89.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.885 0.874 . . . . 1.0 111.158 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.13 86.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.692 0.678 . . . . 1.0 112.427 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -63.59 -46.96 83.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.256 0.622 . . . . 1.0 111.331 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -62.88 -41.05 99.27 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.726 -0.609 . . . . 1.0 112.076 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 118.717 -0.658 . . . . 1.0 110.45 175.358 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 113.523 0.934 . . . . 1.0 113.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -103.73 -33.4 8.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.65 1.18 . . . . 1.0 113.7 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.6 p -150.51 171.37 17.17 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.911 1.819 . . . . 1.0 115.911 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.0 t -135.94 91.96 16.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.127 1.771 . . . . 1.0 108.987 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.46 -18.31 49.27 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.893 2.395 . . . . 1.0 113.653 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.79 -35.69 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.008 . . . . 1.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.31 -7.88 14.78 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.555 1.542 . . . . 1.0 113.645 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.5 t30 55.35 59.63 3.83 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.061 2.944 . . . . 1.0 112.428 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 63.5 mtm -134.31 166.67 22.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.523 1.529 . . . . 1.0 112.311 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -128.49 158.64 37.83 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.23 1.812 . . . . 1.0 111.977 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -131.19 147.01 52.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.774 1.229 . . . . 1.0 112.894 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -84.58 -10.97 56.89 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.177 1.391 . . . . 1.0 114.29 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -156.38 149.67 18.75 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 125.381 1.472 . . . . 1.0 111.589 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.45 -29.43 85.11 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.913 2.409 . . . . 1.0 112.244 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.46 -39.82 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.307 -0.871 . . . . 1.0 110.53 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.95 -42.25 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.887 0.875 . . . . 1.0 109.868 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.74 68.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.269 0.628 . . . . 1.0 111.955 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.76 -42.01 96.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.609 -0.682 . . . . 1.0 111.442 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 t -59.72 -40.6 88.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.983 0.913 . . . . 1.0 111.543 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -66.64 -50.37 63.19 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.605 -0.684 . . . . 1.0 111.487 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -57.32 -34.06 68.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.351 1.241 . . . . 1.0 114.351 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -87.22 -7.32 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.223 0.919 . . . . 1.0 113.422 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.9 154.59 34.05 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.46 1.029 . . . . 1.0 114.002 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.77 -32.74 70.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.845 0.858 . . . . 1.0 113.297 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.4 m -57.3 -42.12 81.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.203 1.001 . . . . 1.0 111.603 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -68.12 -43.72 77.73 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.125 0.57 . . . . 1.0 111.147 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.92 -42.89 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.418 1.087 . . . . 1.0 111.041 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.61 -38.24 86.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.731 0.812 . . . . 1.0 111.29 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 118.202 -0.904 . . . . 1.0 112.667 176.138 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 114.488 0.555 . . . . 1.0 114.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.66 -43.1 75.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.805 1.642 . . . . 1.0 112.688 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -64.45 -44.56 90.73 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.525 0.73 . . . . 1.0 111.899 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.17 90.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.981 0.512 . . . . 1.0 111.629 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.64 -43.0 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 118.469 0.577 . . . . 1.0 110.502 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.82 -47.41 84.91 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.509 -0.744 . . . . 1.0 111.546 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -65.14 -40.2 94.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.018 0.527 . . . . 1.0 111.983 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.33 -43.33 99.05 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.033 0.933 . . . . 1.0 111.573 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.28 -48.42 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 123.833 0.853 . . . . 1.0 109.637 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.81 -46.72 84.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.713 1.205 . . . . 1.0 113.127 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.78 -14.65 62.05 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -131.15 35.88 3.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.272 1.429 . . . . 1.0 112.402 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -53.19 -19.81 3.39 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.572 1.693 . . . . 1.0 115.572 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -76.03 -20.47 57.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.674 1.589 . . . . 1.0 113.734 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.6 pt -130.93 -19.41 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -123.58 144.47 49.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.55 1.54 . . . . 1.0 109.044 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -145.85 172.72 12.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.892 0.877 . . . . 1.0 112.169 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.96 -16.3 50.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.048 1.339 . . . . 1.0 113.592 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -137.48 2.35 2.46 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.642 1.719 . . . . 1.0 115.642 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -159.9 147.24 16.56 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.787 1.63 . . . . 1.0 113.35 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.2 t -117.24 114.4 23.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.802 1.241 . . . . 1.0 108.179 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.07 -34.58 64.07 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.615 0.766 . . . . 1.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.8 t -55.55 -48.3 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.388 1.075 . . . . 1.0 110.835 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -93.13 2.83 56.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.051 1.34 . . . . 1.0 112.606 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t 38.44 55.92 1.81 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.527 2.731 . . . . 1.0 112.597 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 143.92 42.6 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 1.0 112.835 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.89 147.12 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.735 1.214 . . . . 1.0 109.469 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -123.34 71.69 1.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.705 2.402 . . . . 1.0 108.591 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.25 -7.79 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 117.523 2.416 . . . . 1.0 117.523 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -155.74 156.45 34.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.241 1.416 . . . . 1.0 110.835 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -59.11 -36.05 74.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.699 0.8 . . . . 1.0 112.639 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.7 p -63.16 -40.42 97.49 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.411 1.005 . . . . 1.0 111.705 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -67.22 -42.41 84.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.326 0.651 . . . . 1.0 110.543 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -60.83 -47.5 86.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.766 0.712 . . . . 1.0 111.067 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.09 -43.5 98.69 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.323 1.049 . . . . 1.0 111.408 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.57 81.97 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.874 0.761 . . . . 1.0 112.047 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -63.12 -51.34 66.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.243 0.617 . . . . 1.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.16 -18.24 64.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.347 1.24 . . . . 1.0 114.347 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.42 -10.43 23.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.185 0.994 . . . . 1.0 112.877 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -67.39 143.03 56.52 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.668 1.187 . . . . 1.0 113.578 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -61.0 -28.03 68.74 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.472 1.109 . . . . 1.0 112.499 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.03 -42.46 97.07 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.192 0.997 . . . . 1.0 111.295 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -59.77 -43.28 94.42 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.966 0.906 . . . . 1.0 112.337 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.268 0.94 . . . . 1.0 112.194 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -64.31 -42.09 96.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.385 0.674 . . . . 1.0 111.34 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.89 -43.01 97.29 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.396 0.678 . . . . 1.0 111.656 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 1.0 110.3 175.431 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 121.605 3.928 . . . . 1.0 121.605 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -125.28 -14.08 6.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.615 2.766 . . . . 1.0 112.026 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 29.9 p -138.35 161.32 37.24 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.458 1.903 . . . . 1.0 111.017 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.8 t -144.98 89.51 6.49 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.131 1.372 . . . . 1.0 110.108 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.3 -19.7 43.63 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.575 2.183 . . . . 1.0 112.752 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.74 -27.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.455 1.502 . . . . 1.0 111.315 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -126.86 -5.5 6.27 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.835 1.654 . . . . 1.0 114.387 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.2 t30 56.13 56.85 5.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 129.248 3.019 . . . . 1.0 112.895 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.1 mtm -138.79 174.91 10.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.707 1.603 . . . . 1.0 112.615 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -132.06 162.88 29.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.778 1.631 . . . . 1.0 112.897 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -131.24 147.09 52.55 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.537 1.535 . . . . 1.0 112.51 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 p -79.35 -16.1 56.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.636 1.175 . . . . 1.0 113.838 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 t -159.0 149.02 15.25 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 125.631 1.572 . . . . 1.0 111.611 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -61.71 -22.35 74.19 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.901 2.401 . . . . 1.0 112.669 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.86 -39.81 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.325 -0.859 . . . . 1.0 109.973 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.33 -41.41 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.873 0.869 . . . . 1.0 109.954 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.17 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.487 0.715 . . . . 1.0 111.954 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.48 -43.05 88.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.846 0.858 . . . . 1.0 111.436 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -67.87 -37.06 81.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.134 0.574 . . . . 1.0 111.759 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.93 -42.54 97.32 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.473 -0.767 . . . . 1.0 112.37 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.64 -24.98 52.14 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.518 1.303 . . . . 1.0 114.518 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.47 3.17 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.758 1.223 . . . . 1.0 113.073 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.63 142.78 22.07 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.321 0.962 . . . . 1.0 110.911 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -51.49 -38.03 51.96 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.176 1.176 . . . . 1.0 114.176 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.6 m -57.5 -44.0 84.64 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.941 0.896 . . . . 1.0 111.731 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -70.1 -42.86 72.13 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.161 0.584 . . . . 1.0 111.153 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.67 -44.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.364 1.065 . . . . 1.0 111.532 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.15 -39.17 85.42 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.766 0.712 . . . . 1.0 111.208 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 118.099 -0.953 . . . . 1.0 113.271 177.488 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 CA-C-O 122.02 0.789 . . . . 1.0 114.69 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -57.64 -29.86 64.92 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.605 1.162 . . . . 1.0 114.027 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.96 -44.56 84.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.937 0.895 . . . . 1.0 112.083 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.5 82.03 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.708 -0.62 . . . . 1.0 110.951 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.1 -41.69 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.176 0.59 . . . . 1.0 110.451 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -60.21 -47.36 86.28 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.453 -0.779 . . . . 1.0 110.918 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -60.94 -44.34 97.38 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.833 0.453 . . . . 1.0 111.391 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.42 -45.02 95.1 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.909 1.284 . . . . 1.0 112.21 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.87 -45.93 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.045 0.938 . . . . 1.0 110.957 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -66.93 -30.64 70.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.517 1.127 . . . . 1.0 113.546 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.5 -14.36 46.22 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.863 0.865 . . . . 1.0 113.148 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -135.0 37.84 3.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.038 1.335 . . . . 1.0 112.698 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -57.87 -14.65 6.48 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.237 1.569 . . . . 1.0 115.237 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -76.01 -19.29 58.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.365 1.466 . . . . 1.0 113.027 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 pt -129.88 -19.03 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.479 1.511 . . . . 1.0 115.027 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -124.89 151.78 44.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.302 . . . . 1.0 110.093 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -155.08 170.16 22.43 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.168 0.987 . . . . 1.0 112.324 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.81 -20.44 50.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.072 1.349 . . . . 1.0 114.096 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -134.79 5.02 3.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -162.97 144.82 10.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.817 1.644 . . . . 1.0 113.331 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -117.17 117.08 28.61 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.259 1.423 . . . . 1.0 109.285 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -75.89 -37.59 58.68 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.629 0.974 . . . . 1.0 113.629 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.3 t -58.28 -37.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.849 0.749 . . . . 1.0 111.188 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.0 m -103.11 8.98 38.62 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.367 1.467 . . . . 1.0 112.346 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.6 p 32.35 54.38 0.34 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.129 2.971 . . . . 1.0 114.357 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.46 45.1 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.729 1.212 . . . . 1.0 113.373 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.85 149.17 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.186 1.395 . . . . 1.0 109.606 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.1 mt -125.46 74.19 1.37 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.28 2.232 . . . . 1.0 108.688 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 pt -54.82 -13.98 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 117.051 2.241 . . . . 1.0 117.051 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -154.46 158.11 39.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.46 1.504 . . . . 1.0 111.053 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.81 -37.79 71.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.653 0.781 . . . . 1.0 112.904 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.3 p -59.98 -37.62 80.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.522 1.056 . . . . 1.0 112.382 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -69.33 -44.3 71.96 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 1.0 109.802 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -60.3 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.408 0.683 . . . . 1.0 111.113 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.5 -42.97 99.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.033 0.933 . . . . 1.0 111.797 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.92 73.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.034 0.834 . . . . 1.0 112.388 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.99 -51.28 62.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.251 0.621 . . . . 1.0 112.204 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -66.3 -25.49 66.87 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.812 1.042 . . . . 1.0 113.812 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.36 -10.68 43.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -64.21 140.98 58.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.48 1.112 . . . . 1.0 113.815 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -62.86 -34.09 76.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.1 0.96 . . . . 1.0 111.384 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -64.26 -45.72 86.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.133 0.973 . . . . 1.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.0 -49.28 76.68 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.552 0.741 . . . . 1.0 110.546 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.63 87.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.919 0.487 . . . . 1.0 112.224 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.66 -47.1 86.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.558 0.743 . . . . 1.0 111.506 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.231 0.613 . . . . 1.0 111.989 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.939 0.896 . . . . 1.0 111.073 175.778 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.7 p . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 113.934 1.087 . . . . 1.0 113.934 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -132.27 -10.03 3.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.841 1.656 . . . . 1.0 114.572 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.83 152.27 40.04 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.215 1.406 . . . . 1.0 112.292 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 25.7 t -136.3 89.99 18.57 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 126.2 1.8 . . . . 1.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.86 -23.46 47.67 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.574 2.183 . . . . 1.0 112.71 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.21 -34.45 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.194 1.397 . . . . 1.0 111.251 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -118.82 -0.03 11.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.288 1.435 . . . . 1.0 114.107 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.309 0.9 OUTLIER 51.11 54.89 10.41 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 129.422 3.089 . . . . 1.0 114.092 -176.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.4 mtm -133.11 169.95 16.11 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.585 1.554 . . . . 1.0 112.659 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.9 p -131.75 159.52 38.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.969 1.708 . . . . 1.0 112.239 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.34 147.13 52.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.502 1.521 . . . . 1.0 112.599 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -77.85 -19.41 54.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.371 1.248 . . . . 1.0 114.371 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -160.23 158.51 26.04 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.887 1.675 . . . . 1.0 111.981 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.71 -30.12 91.35 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.458 2.772 . . . . 1.0 113.778 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.56 -38.09 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.487 -0.758 . . . . 1.0 110.637 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.13 -34.42 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.287 1.035 . . . . 1.0 110.765 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.06 72.81 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.395 -0.816 . . . . 1.0 109.584 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.06 -43.22 95.57 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.233 1.013 . . . . 1.0 112.467 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 p -60.1 -35.57 75.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.025 0.829 . . . . 1.0 112.181 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.98 -47.01 61.31 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.608 0.763 . . . . 1.0 111.058 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.61 -32.36 72.48 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.93 -4.77 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.481 1.037 . . . . 1.0 113.428 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.06 149.2 19.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.666 1.127 . . . . 1.0 113.354 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.47 -28.7 67.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.407 1.083 . . . . 1.0 113.882 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 m -54.44 -41.02 68.91 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.398 1.079 . . . . 1.0 112.07 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -69.0 -44.59 72.51 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.631 -0.668 . . . . 1.0 111.081 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.45 -37.9 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.723 1.209 . . . . 1.0 112.182 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -59.48 -40.93 88.57 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.281 -0.887 . . . . 1.0 110.449 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 118.219 -0.896 . . . . 1.0 112.037 175.549 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 112.792 -0.123 . . . . 1.0 112.792 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -55.98 -43.02 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.814 0.846 . . . . 1.0 112.911 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.76 -41.99 98.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.085 0.954 . . . . 1.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -43.76 77.97 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.057 0.543 . . . . 1.0 111.378 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.71 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.419 0.554 . . . . 1.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.11 -46.96 88.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.483 -0.761 . . . . 1.0 111.053 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.0 m -58.73 -44.04 90.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.139 0.576 . . . . 1.0 111.597 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.34 -41.45 93.62 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.86 1.264 . . . . 1.0 111.883 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.747 0.819 . . . . 1.0 109.888 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -45.67 82.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.598 1.159 . . . . 1.0 112.325 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.66 -14.42 62.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.093 1.146 . . . . 1.0 114.093 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -132.2 36.35 3.64 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.06 1.344 . . . . 1.0 112.68 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -54.42 -18.32 4.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -76.12 -15.4 60.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.852 1.661 . . . . 1.0 113.839 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.39 -21.57 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.443 1.497 . . . . 1.0 114.633 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -120.0 153.68 35.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.482 1.513 . . . . 1.0 110.313 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.0 p -156.14 169.98 23.25 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.544 1.138 . . . . 1.0 111.041 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.97 -10.46 49.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.63 0.98 3.33 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.345 1.609 . . . . 1.0 115.345 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -163.5 146.15 9.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.421 1.464 . . . . 1.0 113.42 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.17 114.68 24.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.179 1.392 . . . . 1.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -76.63 -32.5 58.06 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.11 -37.64 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.389 0.995 . . . . 1.0 111.037 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.7 m -100.22 6.07 44.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 1.0 112.463 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m 36.65 53.61 1.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.671 2.788 . . . . 1.0 113.53 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.19 146.46 44.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.519 1.127 . . . . 1.0 113.384 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -88.03 148.36 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.139 1.376 . . . . 1.0 109.69 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.05 77.22 1.44 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.396 2.279 . . . . 1.0 108.02 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -51.2 -20.52 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 117.096 2.258 . . . . 1.0 117.096 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 t -156.27 171.16 20.68 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.889 1.275 . . . . 1.0 111.377 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.75 -42.29 79.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.136 0.974 . . . . 1.0 111.666 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.518 1.053 . . . . 1.0 112.633 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -65.69 -42.45 91.19 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.815 -0.553 . . . . 1.0 110.327 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -60.63 -47.42 86.29 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.437 0.562 . . . . 1.0 111.185 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.22 -44.57 95.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.567 1.147 . . . . 1.0 111.804 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.84 -42.64 76.88 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.641 0.655 . . . . 1.0 112.407 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -63.56 -51.18 66.51 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.206 0.602 . . . . 1.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.22 -26.87 66.81 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.043 1.127 . . . . 1.0 114.043 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.6 -11.35 51.7 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.958 0.799 . . . . 1.0 113.139 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -67.91 140.88 56.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.072 1.138 . . . . 1.0 114.072 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -63.53 -32.8 74.37 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.11 . . . . 1.0 111.838 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.94 -45.34 92.91 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.236 1.015 . . . . 1.0 111.168 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.28 -49.46 75.57 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.741 0.817 . . . . 1.0 110.678 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.52 88.09 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.522 0.564 . . . . 1.0 112.522 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.707 -0.621 . . . . 1.0 111.657 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -63.33 -41.92 98.92 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.453 -0.779 . . . . 1.0 111.643 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.0 t . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 123.815 0.846 . . . . 1.0 110.463 174.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -129.7 -17.82 3.57 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.693 1.597 . . . . 1.0 114.256 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.3 p -150.0 165.34 32.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.878 1.436 . . . . 1.0 114.878 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.7 t -139.75 90.6 10.98 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.359 1.864 . . . . 1.0 109.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.33 -19.02 50.26 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.484 2.122 . . . . 1.0 113.299 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.4 -22.14 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.831 1.252 . . . . 1.0 111.712 176.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.1 m -127.35 -8.35 5.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.015 1.726 . . . . 1.0 113.672 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.9 m120 57.21 56.79 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 129.085 2.954 . . . . 1.0 112.9 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 68.8 mtm -135.57 171.0 15.07 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.601 1.56 . . . . 1.0 112.456 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -127.56 159.45 34.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.595 1.558 . . . . 1.0 113.512 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -131.3 147.26 52.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.472 1.909 . . . . 1.0 112.398 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 p -78.26 -34.28 49.12 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.76 1.022 . . . . 1.0 113.76 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.2 m -145.52 158.56 50.25 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.94 1.296 . . . . 1.0 113.056 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -50.7 -40.85 55.81 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.106 3.204 . . . . 1.0 115.303 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.14 -37.34 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 1.0 111.704 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.47 -37.87 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.785 0.834 . . . . 1.0 110.754 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.43 84.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.88 0.472 . . . . 1.0 111.084 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.25 -43.4 98.94 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.811 -0.555 . . . . 1.0 111.648 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.7 m -60.92 -37.19 81.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 1.0 112.078 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -69.13 -47.76 64.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.723 -0.61 . . . . 1.0 111.053 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -57.6 -33.17 67.93 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.423 1.268 . . . . 1.0 114.423 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -84.61 -5.0 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 113.339 0.866 . . . . 1.0 113.339 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.25 150.73 23.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.668 1.127 . . . . 1.0 113.313 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -58.44 -31.57 67.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.7 m -58.52 -42.22 87.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.088 0.955 . . . . 1.0 111.367 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.03 -45.68 66.66 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.705 -0.622 . . . . 1.0 110.923 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.73 -39.08 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.404 1.082 . . . . 1.0 111.801 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.2 ttmt -59.39 -45.47 91.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.371 -0.831 . . . . 1.0 110.206 174.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 117.809 -1.091 . . . . 1.0 112.686 176.689 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.323 0 CA-C-O 122.352 0.973 . . . . 1.0 115.281 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.71 -42.72 75.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.96 1.704 . . . . 1.0 113.553 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.15 -49.01 77.54 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.607 0.763 . . . . 1.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.36 96.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.955 0.502 . . . . 1.0 111.926 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.28 -42.94 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 119.032 -0.509 . . . . 1.0 110.91 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -62.16 -47.7 83.35 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.536 1.062 . . . . 1.0 110.919 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -58.14 -43.97 87.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.368 0.985 . . . . 1.0 111.746 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -58.97 -43.41 91.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.214 1.006 . . . . 1.0 111.878 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.38 -48.68 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.807 0.843 . . . . 1.0 110.627 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -58.41 -44.08 88.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.313 1.045 . . . . 1.0 112.598 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.06 -15.16 60.64 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -131.62 39.42 3.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.853 1.261 . . . . 1.0 112.799 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -55.17 -17.82 4.87 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.102 1.519 . . . . 1.0 115.102 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -76.8 -15.5 59.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.955 1.702 . . . . 1.0 113.774 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.0 pt -134.5 -22.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.14 152.13 40.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.111 1.364 . . . . 1.0 109.875 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -153.99 172.21 17.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.038 0.935 . . . . 1.0 112.093 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.12 -21.21 61.28 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.177 1.177 . . . . 1.0 114.177 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 p -135.7 6.23 3.19 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.026 1.861 . . . . 1.0 116.026 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -161.73 144.94 12.22 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.447 1.476 . . . . 1.0 113.21 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -117.01 115.02 24.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.179 1.392 . . . . 1.0 108.807 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -77.14 -34.45 56.55 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.624 0.972 . . . . 1.0 113.624 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -58.25 -39.15 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.723 0.809 . . . . 1.0 111.161 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -100.64 5.13 43.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.021 1.328 . . . . 1.0 112.487 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 36.47 56.55 1.1 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 128.636 2.774 . . . . 1.0 113.061 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 145.19 43.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.764 1.226 . . . . 1.0 112.97 -176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 t -90.47 148.75 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.69 1.196 . . . . 1.0 109.269 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -130.54 71.65 1.47 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.359 2.264 . . . . 1.0 108.479 -175.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.4 pt -66.53 2.08 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 116.052 1.871 . . . . 1.0 116.052 -174.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -147.97 148.58 30.91 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.638 1.575 . . . . 1.0 110.599 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.73 -34.95 73.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.707 -0.62 . . . . 1.0 111.69 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 m -63.67 -39.04 93.34 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.34 0.973 . . . . 1.0 111.631 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -64.83 -45.07 87.71 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.886 -0.509 . . . . 1.0 110.23 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -60.37 -47.46 85.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.458 0.703 . . . . 1.0 111.237 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.85 -43.27 99.18 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.334 1.054 . . . . 1.0 112.153 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.18 73.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.0 0.818 . . . . 1.0 112.306 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.01 -51.4 64.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.385 0.674 . . . . 1.0 112.278 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -66.93 -25.96 66.61 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -86.63 -14.61 42.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.087 0.858 . . . . 1.0 113.282 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -64.16 140.15 58.84 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.802 1.038 . . . . 1.0 113.802 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.74 -31.69 73.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.019 0.927 . . . . 1.0 111.286 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -63.39 -41.57 98.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.19 0.996 . . . . 1.0 111.23 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -63.7 -49.26 73.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.723 0.809 . . . . 1.0 109.872 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.34 81.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.785 0.661 . . . . 1.0 112.785 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.49 -45.18 92.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.573 -0.705 . . . . 1.0 111.306 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.6 -41.48 96.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.11 0.564 . . . . 1.0 111.614 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 N--CA 1.476 0.835 0 CA-C-N 118.744 0.702 . . . . 1.0 110.87 176.082 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 113.883 1.068 . . . . 1.0 113.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -134.56 -15.11 2.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.147 2.179 . . . . 1.0 113.651 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -146.64 144.95 29.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.906 1.282 . . . . 1.0 111.733 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 37.2 t -129.66 90.91 42.14 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.846 2.058 . . . . 1.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.62 -24.08 56.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.979 2.453 . . . . 1.0 113.024 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.67 -33.14 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.153 1.381 . . . . 1.0 111.226 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.0 m -114.85 -1.86 13.07 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.314 1.846 . . . . 1.0 114.344 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 50.39 57.57 6.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.77 2.828 . . . . 1.0 112.79 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.4 ptm -149.25 168.94 21.93 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.529 1.532 . . . . 1.0 112.774 -176.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 53.6 p -126.74 168.48 14.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.824 1.649 . . . . 1.0 112.774 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -131.09 147.0 52.56 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.151 1.38 . . . . 1.0 112.446 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 p -78.81 -19.85 51.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.562 1.145 . . . . 1.0 113.953 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -158.73 146.56 13.56 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.523 1.529 . . . . 1.0 111.513 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.6 -29.91 26.64 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.865 3.043 . . . . 1.0 114.647 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.83 -37.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.213 1.005 . . . . 1.0 111.236 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.4 t -72.97 -41.04 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.0 0.92 . . . . 1.0 109.871 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.93 67.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.709 0.804 . . . . 1.0 112.238 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.85 -41.61 98.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.529 -0.732 . . . . 1.0 112.009 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.8 m -59.76 -38.3 81.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.015 0.926 . . . . 1.0 111.945 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -68.24 -49.83 58.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.692 0.797 . . . . 1.0 110.859 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -58.94 -38.61 79.4 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.57 -8.81 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.63 162.24 23.26 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.834 1.206 . . . . 1.0 114.32 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.03 -30.37 66.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.64 1.176 . . . . 1.0 113.541 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.3 m -53.91 -44.45 70.57 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.916 1.286 . . . . 1.0 112.544 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.62 -45.13 65.8 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.019 0.528 . . . . 1.0 111.513 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.82 -34.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.04 1.336 . . . . 1.0 112.051 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.99 -38.4 73.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.277 1.031 . . . . 1.0 110.969 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 117.789 -1.101 . . . . 1.0 111.752 175.02 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 N-CA-C 112.535 -0.226 . . . . 1.0 112.535 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.83 -37.4 68.66 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.969 1.1 . . . . 1.0 113.969 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.85 -46.31 84.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.284 0.634 . . . . 1.0 111.684 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 119.066 -0.492 . . . . 1.0 111.935 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.1 -42.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.356 0.98 . . . . 1.0 110.279 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -58.47 -46.88 85.72 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.578 0.751 . . . . 1.0 111.153 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m -63.63 -38.67 91.99 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.147 0.579 . . . . 1.0 112.03 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.46 -44.95 95.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.782 0.833 . . . . 1.0 111.096 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.38 -43.28 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.902 0.881 . . . . 1.0 109.778 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -57.8 -47.6 82.12 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.226 0.921 . . . . 1.0 112.093 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -73.57 -14.18 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.57 1.148 . . . . 1.0 113.818 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -132.67 30.56 4.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.034 1.334 . . . . 1.0 112.445 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -54.49 -21.16 9.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.81 -12.21 60.13 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.591 1.956 . . . . 1.0 113.705 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.9 pt -138.37 -20.29 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.842 1.657 . . . . 1.0 114.963 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -119.85 153.13 36.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.954 1.701 . . . . 1.0 109.876 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -155.35 171.55 19.69 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.447 1.099 . . . . 1.0 112.159 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -59.67 -18.45 42.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.681 1.192 . . . . 1.0 114.075 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -133.81 1.72 3.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.116 1.895 . . . . 1.0 116.116 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -162.38 144.86 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.827 1.649 . . . . 1.0 113.714 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -117.13 114.7 24.07 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.298 1.439 . . . . 1.0 109.137 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -78.96 -27.54 43.52 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.1 -40.7 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.317 0.962 . . . . 1.0 110.966 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' SG ' ' HE3' ' A' ' 61' ' ' LYS . 62.0 m -99.38 6.4 46.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.34 1.456 . . . . 1.0 112.15 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 m 37.47 56.87 1.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.555 2.742 . . . . 1.0 113.467 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.96 145.27 43.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.278 1.031 . . . . 1.0 113.606 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.53 147.68 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.031 1.332 . . . . 1.0 109.13 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -125.69 73.11 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.868 2.067 . . . . 1.0 109.295 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 pt -55.79 -14.32 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 116.873 2.175 . . . . 1.0 116.873 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -152.46 158.54 42.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.966 1.306 . . . . 1.0 111.127 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.99 -37.48 71.71 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.784 0.833 . . . . 1.0 112.441 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.5 p -59.94 -37.67 80.2 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 1.0 112.516 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.35 -44.99 67.0 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.393 0.677 . . . . 1.0 109.716 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.98 -47.44 85.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.64 0.776 . . . . 1.0 111.294 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.08 -54.76 42.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.043 0.937 . . . . 1.0 110.812 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.68 91.61 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.206 0.817 . . . . 1.0 113.206 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -66.49 -51.36 57.58 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.459 0.572 . . . . 1.0 112.206 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -69.5 -31.18 69.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.431 0.9 . . . . 1.0 113.431 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -73.86 -29.11 61.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.755 0.822 . . . . 1.0 112.411 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 t -57.49 138.83 54.68 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.546 1.684 . . . . 1.0 115.546 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -27.86 68.18 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.517 1.127 . . . . 1.0 111.726 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.97 -40.19 83.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.816 1.246 . . . . 1.0 111.207 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.35 -48.75 78.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.591 0.756 . . . . 1.0 108.97 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.93 76.02 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.579 0.585 . . . . 1.0 112.579 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -62.83 -47.18 84.51 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.391 -0.818 . . . . 1.0 111.182 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HE3' ' SG ' ' A' ' 39' ' ' CYS . 46.7 mtmt -62.6 -40.54 97.27 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.366 0.666 . . . . 1.0 111.353 176.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.477 0.886 0 C-N-CA 123.798 0.839 . . . . 1.0 111.45 176.118 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -136.77 -7.33 1.89 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.846 1.425 . . . . 1.0 114.846 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.8 t -149.95 155.54 40.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 1.0 112.212 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.8 t -139.55 89.18 12.03 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 1.0 110.012 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.48 -25.97 76.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.348 2.699 . . . . 1.0 114.219 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.47 -26.06 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.922 1.289 . . . . 1.0 111.945 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 85.5 m -122.42 -9.92 8.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.023 1.729 . . . . 1.0 113.483 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 55.9 56.19 6.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.913 2.885 . . . . 1.0 112.501 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -135.93 166.55 23.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.887 1.675 . . . . 1.0 111.886 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -127.26 157.94 38.51 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.574 1.55 . . . . 1.0 113.069 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -131.45 147.46 52.55 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.635 1.974 . . . . 1.0 112.08 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -71.68 -39.17 70.42 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -142.28 158.14 61.7 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.296 1.439 . . . . 1.0 113.363 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.06 -36.88 93.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.902 3.068 . . . . 1.0 115.01 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.21 -32.98 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 119.543 1.065 . . . . 1.0 111.549 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.91 -40.84 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.499 -0.751 . . . . 1.0 109.349 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.93 -47.54 84.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.18 0.592 . . . . 1.0 110.99 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -59.36 -43.29 92.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.296 -0.877 . . . . 1.0 111.473 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.6 m -60.44 -36.73 78.9 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.091 0.956 . . . . 1.0 111.899 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -70.91 -50.35 35.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.064 0.546 . . . . 1.0 111.286 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -56.17 -36.07 67.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -85.53 -7.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.65 158.76 29.97 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.68 1.133 . . . . 1.0 114.271 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.16 -32.64 70.08 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.14 0.976 . . . . 1.0 113.596 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.0 m -56.29 -42.01 76.82 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.346 1.058 . . . . 1.0 111.883 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -68.33 -46.14 71.01 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.432 0.693 . . . . 1.0 111.118 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.89 -43.85 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.077 1.351 . . . . 1.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -60.5 -42.02 95.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.116 0.966 . . . . 1.0 110.973 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 117.952 -1.023 . . . . 1.0 113.025 176.734 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 CA-C-O 122.159 0.866 . . . . 1.0 115.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -56.7 -35.73 68.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.36 1.464 . . . . 1.0 113.432 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.53 -47.05 80.27 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.687 0.795 . . . . 1.0 111.734 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.75 98.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.101 0.561 . . . . 1.0 111.334 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.04 -44.39 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.256 0.622 . . . . 1.0 110.912 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -60.15 -41.02 91.86 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.404 -0.81 . . . . 1.0 112.411 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -42.9 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.415 0.552 . . . . 1.0 111.278 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.82 -44.28 90.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.575 1.15 . . . . 1.0 112.137 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.45 -44.9 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.925 0.89 . . . . 1.0 110.305 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -65.47 -43.25 90.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.093 0.957 . . . . 1.0 113.362 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.27 -15.01 62.85 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.147 0.979 . . . . 1.0 113.563 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -134.28 38.02 3.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.09 1.356 . . . . 1.0 112.795 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -51.13 -27.49 8.61 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.57 1.322 . . . . 1.0 114.57 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -65.08 -20.05 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.813 1.645 . . . . 1.0 113.871 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.1 pt -131.3 -18.33 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.206 1.558 . . . . 1.0 115.206 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -124.29 151.6 44.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.559 1.144 . . . . 1.0 110.826 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -152.29 166.63 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.268 1.027 . . . . 1.0 111.301 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -52.93 -19.05 2.29 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.2 p -138.3 11.29 2.79 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -163.46 142.62 8.28 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.875 1.67 . . . . 1.0 114.262 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -117.51 118.03 31.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.737 1.615 . . . . 1.0 110.599 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -76.26 -40.05 52.85 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.773 1.027 . . . . 1.0 113.773 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.27 -38.13 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 1.0 111.803 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.29 4.13 43.92 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.595 1.158 . . . . 1.0 111.861 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 37.38 58.52 1.26 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.895 2.878 . . . . 1.0 113.229 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.14 148.27 46.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.726 1.21 . . . . 1.0 113.168 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.43 145.46 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.894 1.278 . . . . 1.0 108.811 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -123.7 75.03 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.309 2.244 . . . . 1.0 108.906 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 pt -65.36 1.79 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 127.141 2.176 . . . . 1.0 116.186 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -155.5 148.79 24.82 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.346 1.458 . . . . 1.0 110.575 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.84 -39.21 91.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.085 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 p -62.5 -37.87 87.71 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.05 1.295 . . . . 1.0 111.839 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -66.86 -42.48 85.59 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.978 0.911 . . . . 1.0 110.38 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -61.88 -47.8 83.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 1.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.656 0.782 . . . . 1.0 111.702 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -42.52 82.12 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.691 0.678 . . . . 1.0 111.929 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -63.93 -51.47 64.31 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.808 -0.557 . . . . 1.0 111.968 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -64.48 -18.97 65.27 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.278 1.214 . . . . 1.0 114.278 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -99.99 -8.06 24.36 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.546 1.138 . . . . 1.0 113.115 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.09 142.51 56.62 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.358 1.063 . . . . 1.0 113.785 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.79 -37.28 81.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.981 1.312 . . . . 1.0 111.594 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.92 -45.1 78.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.088 0.955 . . . . 1.0 110.944 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -59.81 -49.12 78.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.707 0.803 . . . . 1.0 110.719 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.66 85.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.028 0.531 . . . . 1.0 112.363 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.93 -47.22 81.36 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.621 -0.674 . . . . 1.0 111.926 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.72 -43.76 98.24 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.735 0.698 . . . . 1.0 111.483 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 123.633 0.773 . . . . 1.0 112.38 179.289 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 117.151 2.278 . . . . 1.0 117.151 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -131.76 -22.82 2.34 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.609 1.707 . . . . 1.0 115.609 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.59 170.2 19.72 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.244 1.018 . . . . 1.0 113.342 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 41.1 t -145.55 98.87 4.52 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.993 1.717 . . . . 1.0 109.136 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.72 -24.81 24.85 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.551 2.167 . . . . 1.0 113.352 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.75 -37.88 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.338 1.055 . . . . 1.0 110.935 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 -5.74 17.97 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.693 1.597 . . . . 1.0 113.722 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.0 t30 54.68 61.73 2.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 129.268 3.027 . . . . 1.0 113.514 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.4 mtm -138.61 168.04 20.65 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.008 1.323 . . . . 1.0 113.458 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 p -131.71 153.88 49.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.88 2.072 . . . . 1.0 110.997 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.089 1.356 . . . . 1.0 112.59 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.2 p -79.89 -15.57 57.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.882 1.438 . . . . 1.0 114.882 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 162.44 27.51 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 124.601 1.161 . . . . 1.0 112.142 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.09 -28.57 65.49 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.467 2.112 . . . . 1.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.88 -39.24 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.08 0.854 . . . . 1.0 110.11 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.19 -41.06 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.83 66.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.402 0.681 . . . . 1.0 111.176 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.458 0.703 . . . . 1.0 111.994 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.4 m -59.46 -35.98 75.11 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.984 0.811 . . . . 1.0 111.663 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -74.85 -50.58 16.55 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.476 -0.765 . . . . 1.0 111.433 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.94 -41.05 90.98 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.831 1.419 . . . . 1.0 114.831 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.72 -15.71 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.022 0.828 . . . . 1.0 113.23 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.24 154.83 43.22 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.747 0.689 . . . . 1.0 113.53 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -60.02 -26.8 66.37 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.717 0.807 . . . . 1.0 112.586 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -56.86 -43.17 80.93 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.463 1.505 . . . . 1.0 112.345 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.5 -42.43 78.62 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.538 -0.726 . . . . 1.0 110.842 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.77 -41.58 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.467 1.107 . . . . 1.0 111.43 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.93 -36.73 80.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.884 0.874 . . . . 1.0 111.511 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 118.644 -0.693 . . . . 1.0 112.09 175.436 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 CA-C-O 120.425 -0.097 . . . . 1.0 112.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -55.84 -40.2 72.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.801 1.037 . . . . 1.0 113.801 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.97 -44.19 91.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.569 0.622 . . . . 1.0 111.459 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.58 75.09 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.401 0.681 . . . . 1.0 111.714 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.34 -46.38 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.475 1.034 . . . . 1.0 110.622 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.25 -40.68 96.99 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.545 -0.722 . . . . 1.0 111.059 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -65.03 -44.13 90.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.246 0.618 . . . . 1.0 111.534 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.63 -42.56 97.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.174 1.39 . . . . 1.0 111.139 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.93 -49.19 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.246 1.018 . . . . 1.0 109.944 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -59.56 -45.97 90.26 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.924 0.89 . . . . 1.0 113.022 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.15 -16.38 63.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.671 1.188 . . . . 1.0 113.908 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -130.19 31.41 4.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.554 1.541 . . . . 1.0 111.677 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.32 -14.35 1.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.389 1.996 . . . . 1.0 116.389 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -81.82 -14.9 55.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.078 1.751 . . . . 1.0 113.533 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.6 pt -135.77 -21.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.666 1.586 . . . . 1.0 114.776 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -119.96 147.68 44.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.939 1.696 . . . . 1.0 108.849 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -151.61 168.52 24.71 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.961 0.904 . . . . 1.0 112.453 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.34 -19.69 62.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.277 1.431 . . . . 1.0 114.112 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.3 p -132.08 1.78 3.91 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.426 1.639 . . . . 1.0 115.426 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -162.49 147.07 12.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.018 1.281 . . . . 1.0 112.573 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.06 114.71 24.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -77.34 -33.56 55.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.59 -39.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.861 0.755 . . . . 1.0 110.996 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.91 -1.16 53.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.029 1.332 . . . . 1.0 112.654 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.4 m 40.42 55.53 2.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.817 2.447 . . . . 1.0 112.607 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.39 143.4 43.98 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.904 1.281 . . . . 1.0 112.631 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.8 t -87.97 146.36 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.752 1.221 . . . . 1.0 109.913 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.02 73.93 1.0 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.148 2.179 . . . . 1.0 108.275 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 pt -52.37 -17.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 117.075 2.25 . . . . 1.0 117.075 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t -154.92 161.45 41.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.371 1.468 . . . . 1.0 110.469 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.3 -39.03 74.91 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.539 -0.726 . . . . 1.0 111.855 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -59.01 -42.86 91.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.626 1.103 . . . . 1.0 112.18 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.86 -41.9 95.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.372 1.069 . . . . 1.0 110.72 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -61.86 -47.62 84.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.91 0.884 . . . . 1.0 111.024 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.69 -42.43 98.92 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.54 1.136 . . . . 1.0 111.339 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.358 0.527 . . . . 1.0 112.323 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -61.64 -51.51 68.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.806 0.669 . . . . 1.0 112.806 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.68 -22.87 66.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.709 1.003 . . . . 1.0 113.709 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -92.38 -13.59 29.91 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.354 1.062 . . . . 1.0 113.495 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 144.31 53.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.379 1.072 . . . . 1.0 113.462 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -60.05 -28.08 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.481 1.112 . . . . 1.0 112.422 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.14 -38.95 84.65 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.611 1.164 . . . . 1.0 111.533 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -65.42 -44.99 85.65 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.837 0.855 . . . . 1.0 110.897 176.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.24 91.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.828 0.74 . . . . 1.0 112.156 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -61.21 -46.84 88.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.623 -0.673 . . . . 1.0 111.508 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -62.68 -42.95 99.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.917 0.887 . . . . 1.0 111.746 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.67 175.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.772 0.796 . . . . 1.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -137.16 -18.91 1.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.087 1.755 . . . . 1.0 114.777 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 42.2 t -143.67 158.85 43.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.287 1.435 . . . . 1.0 111.932 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.7 t -141.59 88.4 9.73 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 125.385 1.474 . . . . 1.0 110.636 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.35 -27.58 85.36 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.574 2.849 . . . . 1.0 114.255 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.8 t -59.02 -33.92 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.656 1.182 . . . . 1.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.5 m -112.18 -8.71 13.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.463 1.505 . . . . 1.0 113.507 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.78 56.84 5.14 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 128.853 2.861 . . . . 1.0 112.319 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -136.92 167.57 21.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.494 1.518 . . . . 1.0 112.47 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -131.68 162.39 30.54 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.237 1.815 . . . . 1.0 110.971 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.14 146.83 52.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.338 1.055 . . . . 1.0 112.641 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -81.41 -11.71 59.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.156 1.382 . . . . 1.0 114.315 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 t -154.09 146.19 17.16 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 125.374 1.47 . . . . 1.0 111.471 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.6 -23.6 70.16 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.771 2.314 . . . . 1.0 112.504 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.29 -38.43 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.836 0.854 . . . . 1.0 110.37 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.04 -42.98 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.772 0.829 . . . . 1.0 109.786 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.34 59.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.068 0.947 . . . . 1.0 112.538 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -39.54 90.64 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.544 -0.723 . . . . 1.0 112.502 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.4 m -64.36 -40.12 95.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.683 0.793 . . . . 1.0 111.504 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.78 -47.89 81.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.477 0.711 . . . . 1.0 111.832 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.72 -16.17 5.91 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.36 2.78 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.209 1.404 . . . . 1.0 113.226 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.62 158.13 26.02 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.735 1.16 . . . . 1.0 112.897 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.62 -30.03 69.59 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 1.0 113.889 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.4 m -56.65 -40.85 76.18 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.055 0.942 . . . . 1.0 111.494 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -70.08 -44.2 69.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.751 0.82 . . . . 1.0 110.725 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.84 -40.17 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.842 1.257 . . . . 1.0 112.052 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.77 -34.61 73.22 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.158 -0.964 . . . . 1.0 111.339 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 118.54 -0.743 . . . . 1.0 111.932 174.803 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 CA-C-O 120.802 0.112 . . . . 1.0 113.248 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -59.41 -43.71 92.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.296 1.038 . . . . 1.0 112.331 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.07 -40.66 91.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.688 1.195 . . . . 1.0 112.225 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.85 92.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.76 0.424 . . . . 1.0 111.362 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.34 -43.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.351 0.523 . . . . 1.0 110.835 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.81 -46.29 87.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.576 -0.702 . . . . 1.0 111.429 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -65.39 -40.44 93.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.448 0.699 . . . . 1.0 111.808 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.63 -41.4 97.43 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.217 -0.927 . . . . 1.0 111.797 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.93 -44.72 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.966 0.906 . . . . 1.0 109.619 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -59.44 -42.46 91.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.939 1.295 . . . . 1.0 112.469 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.23 -18.52 61.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.464 1.105 . . . . 1.0 113.626 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -133.67 35.62 3.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.842 1.257 . . . . 1.0 113.377 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -57.42 -13.43 3.51 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.467 1.654 . . . . 1.0 115.467 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -78.37 -19.27 53.73 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.527 1.531 . . . . 1.0 113.175 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.1 pt -131.24 -19.81 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.59 1.556 . . . . 1.0 114.914 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -120.82 151.38 39.68 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.457 1.503 . . . . 1.0 109.189 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -155.27 170.88 20.84 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.057 0.943 . . . . 1.0 112.073 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.58 -19.09 56.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.695 1.198 . . . . 1.0 114.146 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -134.67 2.16 3.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.07 145.98 12.22 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.782 1.628 . . . . 1.0 113.566 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.24 116.09 26.57 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.362 1.465 . . . . 1.0 109.201 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.96 -36.54 64.6 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.22 -40.82 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.763 0.825 . . . . 1.0 111.347 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -100.26 4.81 44.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.154 1.382 . . . . 1.0 112.395 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t 36.3 55.54 1.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.805 2.842 . . . . 1.0 112.995 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.04 145.12 43.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.808 1.243 . . . . 1.0 113.137 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.3 t -87.85 147.79 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.002 1.321 . . . . 1.0 109.611 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.15 75.96 1.27 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.46 2.304 . . . . 1.0 108.766 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 pt -54.52 -16.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 117.092 2.256 . . . . 1.0 117.092 -174.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 t -154.84 159.9 40.87 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.083 1.353 . . . . 1.0 110.925 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.13 -36.83 73.52 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.848 0.859 . . . . 1.0 112.58 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 p -61.97 -40.78 96.77 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.454 1.024 . . . . 1.0 111.907 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.84 -42.39 81.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 1.0 110.485 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -59.86 -47.59 85.12 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.728 0.695 . . . . 1.0 110.925 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.9 -51.52 68.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.42 1.088 . . . . 1.0 110.878 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.18 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.8 0.666 . . . . 1.0 112.8 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -67.45 -51.43 51.64 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.784 -0.573 . . . . 1.0 112.131 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -67.34 -27.47 67.16 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.607 0.965 . . . . 1.0 113.607 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.54 -9.3 56.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.797 0.839 . . . . 1.0 113.138 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 139.66 58.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.896 1.072 . . . . 1.0 113.896 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.81 -31.63 72.87 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.6 1.16 . . . . 1.0 111.647 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.95 -45.09 78.84 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.111 . . . . 1.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.99 -49.22 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.66 0.784 . . . . 1.0 110.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.61 86.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.308 0.485 . . . . 1.0 112.308 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -64.4 -39.74 94.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.667 -0.646 . . . . 1.0 112.549 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -69.33 -41.75 76.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.1 0.864 . . . . 1.0 111.276 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 124.216 1.007 . . . . 1.0 111.144 176.194 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 112.055 0.391 . . . . 1.0 112.055 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -118.35 -20.03 8.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.9 1.68 . . . . 1.0 113.4 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 p -137.54 166.24 24.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.5 1.52 . . . . 1.0 113.464 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -146.06 89.66 5.98 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 125.845 1.658 . . . . 1.0 110.038 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -68.26 -20.96 42.39 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.766 2.311 . . . . 1.0 113.18 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -29.09 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.591 1.556 . . . . 1.0 111.596 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.8 m -123.75 -6.7 7.97 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.395 1.878 . . . . 1.0 114.348 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 56.6 57.44 4.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.844 2.858 . . . . 1.0 112.778 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.1 mtm -138.04 171.26 14.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.542 1.537 . . . . 1.0 112.757 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 p -131.95 163.89 27.35 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.254 1.822 . . . . 1.0 112.173 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.21 147.18 52.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.738 1.215 . . . . 1.0 113.164 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.9 p -79.19 -16.69 56.2 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.104 1.362 . . . . 1.0 114.453 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 t -155.75 145.15 15.24 Favored Pre-proline 0 N--CA 1.471 0.602 0 C-N-CA 125.225 1.41 . . . . 1.0 111.517 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.35 -34.58 50.7 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.676 2.918 . . . . 1.0 114.376 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.94 -38.1 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.587 -0.695 . . . . 1.0 111.279 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.62 -39.81 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.627 0.771 . . . . 1.0 109.872 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.81 79.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.318 0.647 . . . . 1.0 111.095 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.7 -43.14 89.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.016 0.526 . . . . 1.0 111.96 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.0 m -65.17 -39.53 93.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.296 0.638 . . . . 1.0 111.885 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -63.63 -47.87 79.6 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.573 -0.704 . . . . 1.0 111.746 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.11 -15.01 4.53 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.49 1.92 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.094 1.358 . . . . 1.0 113.415 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.68 153.61 24.12 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.522 1.058 . . . . 1.0 112.508 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -58.01 -29.66 65.47 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.625 1.343 . . . . 1.0 114.625 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.5 m -58.75 -44.13 90.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.822 0.849 . . . . 1.0 110.845 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -70.48 -43.58 69.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.787 0.835 . . . . 1.0 111.52 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.6 -37.73 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.675 1.19 . . . . 1.0 111.817 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -57.84 -43.52 85.91 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.578 -0.702 . . . . 1.0 110.132 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 117.666 -1.159 . . . . 1.0 112.845 176.818 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 N-CA-C 112.346 -0.302 . . . . 1.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -55.95 -37.03 68.45 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.05 -44.64 91.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.744 0.702 . . . . 1.0 111.861 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.85 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 1.0 111.591 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.39 -46.28 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.989 0.813 . . . . 1.0 110.766 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -61.22 -44.42 97.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.377 0.671 . . . . 1.0 111.038 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -65.96 -39.33 90.33 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.651 0.66 . . . . 1.0 112.423 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.51 -43.09 97.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.239 0.927 . . . . 1.0 110.786 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.86 -50.11 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.372 1.069 . . . . 1.0 110.067 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.794 1.637 . . . . 1.0 113.111 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -74.91 -15.72 60.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.679 1.192 . . . . 1.0 113.757 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -134.41 41.98 2.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.916 1.287 . . . . 1.0 112.806 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -54.69 -18.85 5.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.186 1.55 . . . . 1.0 115.186 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -75.02 -20.31 59.67 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 1.0 113.821 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.7 pt -130.09 -16.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 115.024 1.49 . . . . 1.0 115.024 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -129.84 148.91 51.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.081 1.352 . . . . 1.0 110.64 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 p -149.71 170.12 19.45 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.941 1.297 . . . . 1.0 110.671 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.61 -10.28 25.34 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.179 0.807 . . . . 1.0 113.179 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.0 p -131.71 -1.86 3.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 115.637 1.718 . . . . 1.0 115.637 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -161.97 146.43 12.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.831 1.651 . . . . 1.0 113.604 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -117.43 114.87 24.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.075 1.35 . . . . 1.0 108.809 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -74.79 -36.28 62.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.397 0.888 . . . . 1.0 113.397 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.45 -37.03 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.786 0.834 . . . . 1.0 111.478 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -104.0 8.18 36.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.532 1.533 . . . . 1.0 112.317 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 33.75 55.76 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.961 2.904 . . . . 1.0 114.018 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.08 144.36 43.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.604 1.162 . . . . 1.0 113.161 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.02 148.57 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.111 1.364 . . . . 1.0 109.674 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.67 74.86 1.51 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.551 2.34 . . . . 1.0 108.923 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -15.1 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 117.17 2.285 . . . . 1.0 117.17 -174.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 m -155.66 158.12 37.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.472 1.509 . . . . 1.0 111.212 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -56.75 -36.31 69.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.181 0.992 . . . . 1.0 113.124 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -61.74 -41.15 97.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.015 1.28 . . . . 1.0 112.212 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -68.53 -40.06 80.92 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.564 -0.71 . . . . 1.0 110.402 174.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.76 -47.77 84.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.623 0.647 . . . . 1.0 110.563 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.19 -41.7 97.28 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.305 1.042 . . . . 1.0 111.892 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.77 74.49 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.606 0.639 . . . . 1.0 112.0 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.74 -51.37 62.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.196 0.598 . . . . 1.0 112.199 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.85 -18.75 65.55 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.191 1.182 . . . . 1.0 114.191 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -98.28 -11.9 22.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.28 1.032 . . . . 1.0 112.85 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 t -59.82 136.54 58.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.039 0.936 . . . . 1.0 111.977 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -63.97 -29.97 71.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.356 0.663 . . . . 1.0 112.217 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.83 -45.53 74.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.076 0.95 . . . . 1.0 110.254 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -61.98 -49.21 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.012 0.925 . . . . 1.0 110.273 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.33 79.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.925 0.89 . . . . 1.0 112.304 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.72 -45.48 89.78 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.778 -0.576 . . . . 1.0 111.583 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.07 -43.69 91.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.519 0.728 . . . . 1.0 111.888 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 123.625 0.77 . . . . 1.0 110.826 176.097 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.425 ' N ' ' HH ' ' A' ' 114' ' ' TYR . 23.0 m . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -136.39 -21.55 1.35 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.519 1.927 . . . . 1.0 113.238 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.6 p -149.3 172.42 14.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.199 . . . . 1.0 112.152 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.1 t -145.39 93.84 5.31 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.229 1.411 . . . . 1.0 110.036 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.45 -22.03 45.87 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.529 2.153 . . . . 1.0 113.439 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.0 -31.45 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.381 1.073 . . . . 1.0 111.255 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.2 m -112.33 -10.22 13.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.976 1.71 . . . . 1.0 113.561 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.3 t30 57.18 58.3 4.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.712 2.805 . . . . 1.0 112.545 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.4 mtm -136.87 168.07 20.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.346 1.458 . . . . 1.0 113.066 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -130.96 156.4 45.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.637 1.975 . . . . 1.0 111.435 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.31 147.07 52.54 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.94 1.296 . . . . 1.0 112.541 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 p -77.59 -17.37 57.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.525 1.306 . . . . 1.0 114.525 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -159.29 148.47 14.43 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.026 1.33 . . . . 1.0 112.13 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.54 -30.73 36.88 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.583 2.855 . . . . 1.0 113.827 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -39.14 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.275 1.03 . . . . 1.0 111.054 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.64 -41.19 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.007 0.923 . . . . 1.0 109.679 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.22 -50.93 71.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.588 0.755 . . . . 1.0 112.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.95 -40.74 98.57 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.337 -0.852 . . . . 1.0 112.072 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.7 m -59.94 -37.85 80.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.689 0.796 . . . . 1.0 111.357 176.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -68.56 -49.77 56.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.294 0.638 . . . . 1.0 110.945 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HH ' ' N ' ' A' ' 94' ' ' SER . 20.9 m-85 -55.01 -35.69 64.66 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.731 1.011 . . . . 1.0 113.731 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.82 -5.77 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 113.849 1.055 . . . . 1.0 113.849 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.38 159.34 27.23 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.588 1.089 . . . . 1.0 113.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -61.99 -24.94 67.34 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.182 1.178 . . . . 1.0 114.182 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -58.17 -41.13 83.2 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.11 0.868 . . . . 1.0 110.971 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -70.11 -46.15 65.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.283 0.633 . . . . 1.0 110.91 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.74 -39.34 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.077 1.351 . . . . 1.0 112.271 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.91 -39.97 79.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.821 0.849 . . . . 1.0 110.729 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 118.308 -0.853 . . . . 1.0 112.225 175.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.407 0 N-CA-C 114.588 0.595 . . . . 1.0 114.588 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -55.9 -43.37 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.32 -47.07 84.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.023 0.929 . . . . 1.0 112.32 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.12 78.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 122.048 -0.407 . . . . 1.0 111.807 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.27 -46.15 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.881 0.764 . . . . 1.0 110.674 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.33 -40.95 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.428 -0.795 . . . . 1.0 111.215 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -65.05 -44.14 90.03 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.177 0.591 . . . . 1.0 111.389 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.73 -42.18 96.8 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.908 1.283 . . . . 1.0 111.332 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.3 -50.2 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.266 1.026 . . . . 1.0 109.751 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -61.53 -41.63 97.63 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.52 0.933 . . . . 1.0 113.52 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.78 -14.83 62.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.13 0.972 . . . . 1.0 113.444 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.1 38.0 3.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.293 1.437 . . . . 1.0 112.113 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -52.7 -20.54 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -74.4 -19.79 60.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.781 1.632 . . . . 1.0 113.792 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 pt -132.61 -18.5 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -125.62 142.76 51.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.133 1.373 . . . . 1.0 109.575 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 p -147.75 171.99 14.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.918 1.287 . . . . 1.0 110.946 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.06 -10.82 33.12 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.4 p -131.89 -3.02 3.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.629 1.714 . . . . 1.0 115.629 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -160.84 145.8 14.19 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.877 1.671 . . . . 1.0 113.877 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.53 114.33 23.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.029 1.332 . . . . 1.0 108.491 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.9 -33.49 57.79 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.495 0.924 . . . . 1.0 113.495 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.62 -29.86 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.079 0.952 . . . . 1.0 111.407 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -112.58 8.53 19.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.122 1.769 . . . . 1.0 112.584 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m 35.13 54.49 0.75 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.67 2.788 . . . . 1.0 113.681 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.02 145.07 43.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.485 1.114 . . . . 1.0 113.584 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -87.96 147.6 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.144 1.378 . . . . 1.0 109.546 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.9 mt -121.33 76.91 1.28 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.365 2.266 . . . . 1.0 108.724 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 pt -53.02 -17.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 117.246 2.313 . . . . 1.0 117.246 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 t -156.88 162.49 39.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.311 1.445 . . . . 1.0 110.616 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -58.35 -35.84 72.55 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.419 -0.801 . . . . 1.0 111.896 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 p -60.79 -43.06 98.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.217 . . . . 1.0 111.909 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -65.41 -42.27 92.72 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.347 1.059 . . . . 1.0 110.755 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -61.11 -47.81 84.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.49 0.716 . . . . 1.0 110.797 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.07 -42.18 98.93 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.693 1.197 . . . . 1.0 111.654 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -43.29 71.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.524 0.602 . . . . 1.0 112.069 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.86 -51.43 64.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.938 0.79 . . . . 1.0 111.659 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -64.14 -17.84 63.86 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.238 1.199 . . . . 1.0 114.238 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -105.5 -2.62 23.42 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.899 1.279 . . . . 1.0 113.161 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.8 t -72.85 142.08 47.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.518 1.127 . . . . 1.0 113.795 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.179 -0.95 . . . . 1.0 112.036 174.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.99 -35.78 77.09 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.701 1.2 . . . . 1.0 111.207 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -70.27 -40.63 74.22 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 1.0 109.736 173.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.26 82.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.945 0.72 . . . . 1.0 112.945 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -62.66 -32.16 73.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.245 -0.909 . . . . 1.0 112.602 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -74.5 -38.98 62.69 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.678 -0.639 . . . . 1.0 111.127 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 123.592 0.757 . . . . 1.0 110.628 172.66 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 118.539 2.792 . . . . 1.0 118.539 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -130.5 -21.25 2.85 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.193 2.294 . . . . 1.0 117.193 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -144.13 163.26 34.09 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.377 1.444 . . . . 1.0 113.996 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 t -144.26 91.35 6.42 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 126.109 1.764 . . . . 1.0 110.415 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.69 -20.05 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.946 2.431 . . . . 1.0 113.635 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.03 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.771 0.829 . . . . 1.0 110.27 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 78.3 m -98.05 -10.37 24.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.158 1.383 . . . . 1.0 113.578 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 21.0 m120 60.87 55.24 3.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.877 2.471 . . . . 1.0 111.635 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.4 mtm -135.55 168.18 19.72 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.133 1.373 . . . . 1.0 113.41 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.92 163.19 28.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.039 2.136 . . . . 1.0 110.174 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -130.97 145.67 52.12 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.09 0.774 . . . . 1.0 113.09 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -76.46 -18.89 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.095 1.358 . . . . 1.0 114.565 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -155.82 148.43 17.87 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 125.072 1.349 . . . . 1.0 112.001 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -50.67 -34.01 42.01 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.762 2.975 . . . . 1.0 113.757 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.47 -44.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.357 1.063 . . . . 1.0 110.773 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.83 -41.49 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.677 0.791 . . . . 1.0 110.348 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.66 54.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.161 0.584 . . . . 1.0 112.228 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.61 -42.76 99.33 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.314 -0.866 . . . . 1.0 112.321 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 m -59.75 -36.33 76.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.535 0.734 . . . . 1.0 112.12 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.81 -50.16 63.48 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.664 0.666 . . . . 1.0 111.054 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.95 -36.27 76.74 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.954 1.094 . . . . 1.0 113.954 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -85.52 -9.05 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.354 0.872 . . . . 1.0 113.354 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.93 159.4 23.68 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.82 1.2 . . . . 1.0 113.717 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -16.97 63.53 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 m -58.48 -39.92 81.29 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.335 1.054 . . . . 1.0 111.186 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.64 -44.48 74.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.286 0.634 . . . . 1.0 110.404 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.85 -38.74 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.236 1.414 . . . . 1.0 112.293 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.32 -39.47 75.91 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.09 0.859 . . . . 1.0 110.646 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 118.279 -0.867 . . . . 1.0 111.326 175.586 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 113.175 0.03 . . . . 1.0 113.175 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.03 -43.13 81.6 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.648 0.779 . . . . 1.0 113.027 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -60.52 -43.02 97.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.002 0.921 . . . . 1.0 111.939 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.32 85.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.968 0.507 . . . . 1.0 111.35 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.74 -46.04 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.513 0.597 . . . . 1.0 110.66 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.43 -43.56 96.67 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.553 -0.717 . . . . 1.0 111.495 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -64.24 -44.32 92.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.303 0.641 . . . . 1.0 111.511 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.52 -43.28 93.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.81 1.244 . . . . 1.0 111.533 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.19 -50.06 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.024 0.93 . . . . 1.0 110.021 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -60.7 -42.32 96.95 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.785 1.031 . . . . 1.0 113.785 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.59 -12.93 60.31 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.554 0.946 . . . . 1.0 113.554 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -128.18 35.72 4.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.413 1.485 . . . . 1.0 111.856 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -54.07 -18.22 3.44 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.439 1.644 . . . . 1.0 115.439 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -75.38 -16.05 60.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.709 1.604 . . . . 1.0 113.685 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.2 pt -136.5 -22.13 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.316 1.446 . . . . 1.0 114.812 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -119.84 154.74 33.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.495 1.518 . . . . 1.0 109.724 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.9 p -156.19 170.22 22.73 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.779 0.831 . . . . 1.0 111.585 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.85 -18.97 59.0 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.787 1.032 . . . . 1.0 113.787 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -135.81 6.01 3.15 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.038 1.866 . . . . 1.0 116.038 -176.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -162.03 144.62 11.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.602 1.546 . . . . 1.0 113.25 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -117.54 115.0 24.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.013 1.325 . . . . 1.0 109.685 172.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -77.14 -32.09 56.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.64 -35.92 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 123.811 0.844 . . . . 1.0 111.752 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -105.48 7.3 32.99 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.592 1.557 . . . . 1.0 112.219 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m 36.43 54.01 1.04 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.88 2.872 . . . . 1.0 113.717 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.28 148.98 46.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.461 1.104 . . . . 1.0 113.671 -176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.48 147.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.088 1.355 . . . . 1.0 109.405 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -126.09 73.54 1.37 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.257 2.223 . . . . 1.0 108.446 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -52.85 -14.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 117.214 2.301 . . . . 1.0 117.214 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -153.74 159.46 41.97 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.105 1.362 . . . . 1.0 110.933 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.81 -36.58 70.09 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.684 0.794 . . . . 1.0 111.583 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -59.05 -37.95 78.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.698 1.135 . . . . 1.0 112.799 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -70.85 -44.91 65.46 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.506 0.722 . . . . 1.0 109.875 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.71 -47.22 85.33 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.03 0.932 . . . . 1.0 111.099 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.99 -44.98 96.61 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.617 1.167 . . . . 1.0 111.724 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.45 80.07 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.082 0.855 . . . . 1.0 112.122 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -64.57 -51.3 63.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.716 0.807 . . . . 1.0 112.693 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.2 -21.67 62.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.341 1.237 . . . . 1.0 114.341 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -91.24 -12.53 34.95 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.355 0.98 . . . . 1.0 112.962 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.9 t -77.53 130.62 37.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.113 0.965 . . . . 1.0 111.624 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -54.95 -26.98 40.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.28 -36.25 75.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.091 0.956 . . . . 1.0 111.485 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.98 -49.21 73.4 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.4 0.68 . . . . 1.0 110.696 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.85 85.94 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.93 -0.481 . . . . 1.0 111.934 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -57.71 -47.05 83.49 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.935 -0.478 . . . . 1.0 111.383 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.81 -34.34 77.61 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.062 -0.97 . . . . 1.0 112.44 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-N 119.655 1.116 . . . . 1.0 111.2 176.355 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.6 p . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 113.248 0.833 . . . . 1.0 113.248 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -121.08 -10.28 9.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.754 2.022 . . . . 1.0 111.519 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.1 t -146.16 162.03 38.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.607 1.563 . . . . 1.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.4 t -142.42 95.82 6.49 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 127.104 2.162 . . . . 1.0 109.176 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.36 -22.0 29.92 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.691 2.261 . . . . 1.0 113.58 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.06 -23.48 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 1.0 111.745 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -122.51 -8.52 8.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.361 1.864 . . . . 1.0 113.701 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 55.08 58.15 4.97 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.674 2.79 . . . . 1.0 112.576 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtm -135.4 169.39 17.57 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.486 1.514 . . . . 1.0 112.538 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.4 p -131.07 157.96 41.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.055 1.742 . . . . 1.0 111.994 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.444 1.498 . . . . 1.0 112.3 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.8 p -71.9 -30.54 65.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.4 m -150.48 153.89 34.96 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.121 1.369 . . . . 1.0 112.184 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.22 -40.07 42.68 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 124.182 3.255 . . . . 1.0 115.597 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -37.85 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.473 -0.767 . . . . 1.0 111.696 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.44 -40.08 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.666 0.786 . . . . 1.0 110.06 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.8 84.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.936 0.494 . . . . 1.0 110.97 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.62 -43.4 89.64 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.546 -0.721 . . . . 1.0 111.515 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 m -60.77 -36.2 78.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.501 0.72 . . . . 1.0 112.211 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -70.15 -50.22 42.66 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.717 -0.615 . . . . 1.0 111.248 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -56.03 -31.21 62.91 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.462 1.282 . . . . 1.0 114.462 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.43 -4.72 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.59 157.85 26.91 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.419 1.009 . . . . 1.0 114.46 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -57.45 -32.62 67.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.438 1.095 . . . . 1.0 113.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -56.75 -43.88 81.19 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.586 1.154 . . . . 1.0 111.255 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -70.25 -42.68 71.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.962 -0.461 . . . . 1.0 111.615 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.93 -37.65 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.953 0.901 . . . . 1.0 111.581 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.42 -40.11 74.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.408 -0.808 . . . . 1.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 124.083 0.953 . . . . 1.0 113.072 176.079 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 CA-C-O 121.033 0.241 . . . . 1.0 113.219 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.54 -36.7 76.64 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.8 -45.23 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.759 0.709 . . . . 1.0 111.734 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.9 83.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.194 0.598 . . . . 1.0 111.462 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.76 -46.24 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 122.973 0.509 . . . . 1.0 111.677 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -60.96 -43.06 99.27 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.121 0.873 . . . . 1.0 111.204 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -64.89 -43.21 93.64 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.724 0.809 . . . . 1.0 111.406 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -43.39 97.63 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.123 -0.986 . . . . 1.0 111.482 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.64 -46.62 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.849 0.86 . . . . 1.0 109.551 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -58.72 -47.55 84.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.569 1.148 . . . . 1.0 112.646 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.5 -13.93 62.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -132.88 36.45 3.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.2 1.4 . . . . 1.0 112.199 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.5 p -55.24 -16.96 3.76 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.444 1.646 . . . . 1.0 115.444 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -81.93 -14.67 55.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.223 1.809 . . . . 1.0 113.783 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.2 pt -135.36 -12.83 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 125.416 1.486 . . . . 1.0 114.902 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -128.46 152.98 47.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.249 1.82 . . . . 1.0 109.623 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -155.88 163.64 39.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.729 1.211 . . . . 1.0 111.391 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.98 -16.28 41.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.448 1.277 . . . . 1.0 114.448 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 p -126.42 -2.91 6.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.09 1.515 . . . . 1.0 115.09 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -163.13 135.78 5.45 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.123 1.329 . . . . 1.0 112.892 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.2 t -102.34 114.86 29.39 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.329 -1.36 . . . . 1.0 107.329 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -20.49 31.3 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.744 1.016 . . . . 1.0 113.744 -176.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.14 -36.08 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 118.967 0.803 . . . . 1.0 110.528 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.3 m -103.97 6.31 36.12 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.554 1.542 . . . . 1.0 112.637 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.3 m 38.13 55.79 1.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.049 2.539 . . . . 1.0 113.41 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.55 139.28 43.81 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.555 1.142 . . . . 1.0 112.685 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.3 t -87.62 146.08 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.534 1.134 . . . . 1.0 109.433 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -122.63 75.64 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.108 2.163 . . . . 1.0 108.653 -174.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.65 -17.58 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 116.688 2.107 . . . . 1.0 116.688 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -154.53 162.08 41.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.385 1.474 . . . . 1.0 110.65 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -57.02 -35.75 69.63 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.798 0.839 . . . . 1.0 112.112 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 p -62.18 -40.71 96.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.025 1.284 . . . . 1.0 112.263 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -67.4 -41.3 85.15 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.676 -0.64 . . . . 1.0 110.242 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -60.04 -47.7 84.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.244 0.618 . . . . 1.0 110.985 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.75 -48.22 81.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.149 0.98 . . . . 1.0 110.829 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.35 99.02 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.808 0.67 . . . . 1.0 112.808 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -66.31 -51.37 58.01 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.701 0.682 . . . . 1.0 112.264 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -66.38 -17.82 65.0 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.206 1.188 . . . . 1.0 114.206 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -97.94 -12.73 21.71 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.391 1.076 . . . . 1.0 113.459 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.0 p -68.65 154.72 41.39 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -68.09 -33.46 74.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.066 . . . . 1.0 111.874 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.34 -45.16 77.2 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.907 1.283 . . . . 1.0 110.991 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -61.72 -48.49 80.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.851 0.86 . . . . 1.0 110.468 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.13 83.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.94 0.496 . . . . 1.0 111.909 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -63.85 -47.24 81.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.554 -0.736 . . . . 1.0 112.003 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -60.19 -45.31 93.58 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.95 0.796 . . . . 1.0 111.746 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.4 t . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 118.816 -0.612 . . . . 1.0 110.689 177.628 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 118.033 2.605 . . . . 1.0 118.033 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -83.06 -27.22 30.43 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.839 1.199 . . . . 1.0 112.328 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.7 p -150.4 169.45 21.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.333 1.453 . . . . 1.0 113.22 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.7 t -134.61 92.12 20.37 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 127.374 2.269 . . . . 1.0 107.244 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 -29.78 25.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.403 2.735 . . . . 1.0 116.463 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.3 -47.66 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.458 1.481 . . . . 1.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.51 -9.06 58.38 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.294 1.038 . . . . 1.0 112.904 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 62.2 t30 52.28 63.55 2.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.868 3.267 . . . . 1.0 114.362 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -146.49 169.45 18.9 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.509 1.123 . . . . 1.0 113.178 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.8 p -125.76 163.08 23.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.901 1.68 . . . . 1.0 111.409 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.1 145.06 51.86 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.368 0.877 . . . . 1.0 113.368 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 p -77.05 -23.43 52.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.676 1.19 . . . . 1.0 113.814 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.8 m -145.32 149.04 39.89 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 126.242 1.817 . . . . 1.0 110.588 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.84 -27.93 59.18 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.246 2.631 . . . . 1.0 113.675 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.79 -32.89 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.669 0.788 . . . . 1.0 111.507 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.86 -42.04 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.652 0.781 . . . . 1.0 110.274 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.92 78.48 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.392 0.677 . . . . 1.0 110.836 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.95 -43.57 91.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.853 -0.529 . . . . 1.0 111.409 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -59.93 -38.38 82.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.415 1.086 . . . . 1.0 112.055 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -70.06 -43.13 71.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.822 0.849 . . . . 1.0 111.886 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.89 -27.98 63.21 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.704 1.742 . . . . 1.0 115.704 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -74.95 -0.09 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.358 1.435 . . . . 1.0 114.649 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.34 158.31 19.71 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.785 1.184 . . . . 1.0 113.709 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -62.34 -16.6 55.3 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.464 1.283 . . . . 1.0 114.464 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -52.89 -44.02 66.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.756 1.162 . . . . 1.0 112.25 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.39 -47.03 83.71 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.631 -0.668 . . . . 1.0 110.802 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.93 -37.11 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.301 1.44 . . . . 1.0 112.516 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.56 -37.73 84.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.093 -1.004 . . . . 1.0 110.609 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.476 173.648 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 112.649 -0.18 . . . . 1.0 112.649 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -55.63 -43.13 75.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.534 0.734 . . . . 1.0 112.707 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.26 -41.9 94.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.398 1.079 . . . . 1.0 112.447 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.41 74.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 1.0 111.208 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.32 -44.77 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.381 0.537 . . . . 1.0 110.438 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -60.24 -44.33 95.32 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.839 0.855 . . . . 1.0 111.125 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.3 m -63.96 -40.99 97.68 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.459 0.704 . . . . 1.0 112.498 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.56 -43.65 98.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.582 1.153 . . . . 1.0 111.009 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.38 -46.48 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.208 1.003 . . . . 1.0 110.417 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -56.85 -46.99 81.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.103 1.361 . . . . 1.0 112.6 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -83.6 -7.24 59.55 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.467 1.284 . . . . 1.0 114.467 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -134.33 36.28 3.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.215 1.406 . . . . 1.0 111.779 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.0 p -54.63 -18.31 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.655 1.724 . . . . 1.0 115.655 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -76.98 -20.26 56.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.634 1.573 . . . . 1.0 113.504 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.08 -17.48 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.392 1.477 . . . . 1.0 114.955 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.84 149.83 48.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.672 1.589 . . . . 1.0 109.614 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -153.06 169.34 23.18 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.237 1.015 . . . . 1.0 111.966 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.73 -19.22 48.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.81 1.244 . . . . 1.0 113.951 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -133.5 4.28 3.65 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.885 1.809 . . . . 1.0 115.885 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -163.34 144.41 9.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.65 1.568 . . . . 1.0 113.233 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.9 t -115.83 114.66 25.04 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.197 1.399 . . . . 1.0 108.398 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -76.69 -33.21 58.24 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.056 0.761 . . . . 1.0 113.056 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.61 -33.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.336 0.655 . . . . 1.0 111.525 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.6 9.64 25.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 1.0 112.342 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m 34.72 56.98 0.73 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.672 2.789 . . . . 1.0 113.623 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.78 141.02 42.94 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.288 1.035 . . . . 1.0 113.235 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -87.83 147.43 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.828 1.251 . . . . 1.0 109.364 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.79 70.01 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.145 2.178 . . . . 1.0 109.248 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -52.2 -19.74 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 117.06 2.245 . . . . 1.0 117.06 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 m -145.95 157.94 43.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.071 1.348 . . . . 1.0 111.074 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.93 -36.4 70.19 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.0 p -60.18 -37.3 79.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.572 1.078 . . . . 1.0 112.508 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -69.97 -45.01 68.29 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.333 0.653 . . . . 1.0 109.854 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -60.13 -47.65 85.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.457 0.703 . . . . 1.0 111.038 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.57 -43.57 98.48 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.208 1.003 . . . . 1.0 111.564 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -40.96 77.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.329 0.968 . . . . 1.0 112.522 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -66.55 -51.31 57.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.521 0.601 . . . . 1.0 111.831 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -66.97 -31.85 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.07 -8.67 59.51 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.237 0.926 . . . . 1.0 113.346 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.5 t -67.94 136.76 54.47 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.199 -0.938 . . . . 1.0 112.707 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -63.08 -30.45 71.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.468 0.707 . . . . 1.0 111.452 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.89 -45.15 87.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.827 0.851 . . . . 1.0 110.428 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -60.91 -49.39 77.67 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.551 0.741 . . . . 1.0 110.404 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.34 84.5 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -64.0 -46.07 86.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.559 -0.713 . . . . 1.0 111.656 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -61.01 -43.78 98.38 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.168 0.987 . . . . 1.0 110.86 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 124.166 0.986 . . . . 1.0 110.98 175.304 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -125.91 -10.78 6.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.608 1.963 . . . . 1.0 112.53 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.5 p -135.89 164.42 27.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.026 1.33 . . . . 1.0 113.583 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.8 t -148.02 89.37 5.28 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.734 1.614 . . . . 1.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.86 -30.09 22.34 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.889 2.393 . . . . 1.0 114.879 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.4 t -64.53 -46.88 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.189 0.904 . . . . 1.0 110.405 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -83.94 -8.93 59.05 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.598 1.159 . . . . 1.0 112.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.89 59.57 3.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.982 3.313 . . . . 1.0 114.117 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -150.26 179.38 8.16 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.136 1.374 . . . . 1.0 113.361 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.7 p -132.03 167.51 19.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.012 1.725 . . . . 1.0 112.917 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -131.22 147.03 52.55 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.268 1.427 . . . . 1.0 112.019 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.0 p -77.63 -26.49 50.58 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.114 0.966 . . . . 1.0 113.328 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -139.02 145.57 45.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.598 1.559 . . . . 1.0 112.19 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.13 -25.1 65.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.993 2.462 . . . . 1.0 113.137 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.6 t -63.92 -38.93 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.244 0.929 . . . . 1.0 110.448 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 t -65.65 -43.74 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.913 0.885 . . . . 1.0 109.951 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.45 65.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.703 0.801 . . . . 1.0 111.828 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.79 -42.85 90.01 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.753 0.821 . . . . 1.0 111.827 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.8 t -63.9 -40.36 96.32 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.844 . . . . 1.0 111.844 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -66.97 -48.25 69.09 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 1.0 112.935 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -54.93 -31.09 60.03 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.681 1.363 . . . . 1.0 114.681 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.32 -2.08 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 113.942 1.09 . . . . 1.0 113.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.44 153.75 21.87 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.342 0.972 . . . . 1.0 113.298 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.7 -25.7 67.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.128 1.158 . . . . 1.0 114.128 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.3 m -59.12 -40.07 84.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.22 0.918 . . . . 1.0 111.138 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -69.35 -46.62 66.56 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.377 0.671 . . . . 1.0 110.614 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.969 1.308 . . . . 1.0 112.242 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.18 -40.42 85.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.421 -0.8 . . . . 1.0 110.702 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 123.647 0.779 . . . . 1.0 111.606 175.735 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 113.384 0.114 . . . . 1.0 113.384 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.85 -37.93 71.99 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.92 -44.69 91.37 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.886 0.766 . . . . 1.0 111.885 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.36 74.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.053 -0.498 . . . . 1.0 111.52 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.43 -42.97 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.351 0.978 . . . . 1.0 110.652 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -59.68 -46.18 89.82 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.205 1.002 . . . . 1.0 110.799 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.0 t -62.16 -44.2 97.14 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.898 -0.502 . . . . 1.0 111.343 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.85 -41.57 91.74 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.807 1.243 . . . . 1.0 112.158 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.13 -50.12 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.134 0.974 . . . . 1.0 109.877 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -61.26 -42.73 99.13 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.305 1.042 . . . . 1.0 113.091 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -68.98 -15.22 63.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.295 1.038 . . . . 1.0 113.359 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -131.43 35.61 3.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.694 1.598 . . . . 1.0 112.083 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -53.62 -19.82 4.41 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.553 1.686 . . . . 1.0 115.553 -177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -74.82 -19.82 60.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.746 1.619 . . . . 1.0 113.598 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -131.97 -20.88 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.27 1.582 . . . . 1.0 115.27 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -121.75 150.25 42.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.253 1.421 . . . . 1.0 109.827 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -154.87 168.61 26.34 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.799 1.24 . . . . 1.0 111.276 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.74 -15.41 53.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.991 1.108 . . . . 1.0 113.991 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 p -131.8 0.87 3.95 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.743 1.757 . . . . 1.0 115.743 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -163.81 145.4 9.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.454 1.479 . . . . 1.0 113.398 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -117.24 115.8 26.0 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.221 1.408 . . . . 1.0 108.966 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -73.92 -37.22 64.69 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.687 0.995 . . . . 1.0 113.687 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.6 -39.45 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.62 0.768 . . . . 1.0 111.126 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -101.54 8.11 42.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.437 1.495 . . . . 1.0 112.407 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 32.59 54.93 0.38 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.092 2.957 . . . . 1.0 114.034 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.13 145.86 44.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.738 1.215 . . . . 1.0 113.079 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.9 149.7 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.118 1.367 . . . . 1.0 109.742 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 mt -125.46 73.79 1.34 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.343 2.257 . . . . 1.0 109.147 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.81 -12.62 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 117.048 2.24 . . . . 1.0 117.048 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -152.23 156.25 39.35 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.068 1.347 . . . . 1.0 110.951 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -56.94 -39.17 74.04 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.804 0.842 . . . . 1.0 112.184 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -61.84 -35.78 79.27 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.238 0.926 . . . . 1.0 112.02 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.76 -43.83 74.97 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.853 -0.529 . . . . 1.0 109.799 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -58.6 -47.68 83.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.414 0.686 . . . . 1.0 111.007 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.0 -52.15 66.21 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.029 0.932 . . . . 1.0 110.777 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.63 86.96 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -67.85 -51.12 51.99 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.951 0.796 . . . . 1.0 112.11 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -66.13 -17.34 64.65 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.499 0.925 . . . . 1.0 113.499 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -102.61 -2.87 27.57 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.315 1.446 . . . . 1.0 112.905 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -71.55 133.56 45.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.635 1.174 . . . . 1.0 112.846 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -55.02 -31.36 61.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.379 1.472 . . . . 1.0 112.803 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -39.25 82.56 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.643 1.177 . . . . 1.0 112.097 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -61.27 -43.14 99.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.101 0.96 . . . . 1.0 111.001 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.98 81.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.755 0.707 . . . . 1.0 111.994 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -62.78 -47.1 84.95 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.107 0.563 . . . . 1.0 111.752 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -65.52 -40.83 93.4 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.734 0.642 . . . . 1.0 112.734 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 N--CA 1.475 0.821 0 CA-C-N 118.589 0.631 . . . . 1.0 110.437 175.54 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 114.353 1.242 . . . . 1.0 114.353 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -123.2 -32.31 3.46 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.649 1.179 . . . . 1.0 113.498 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.2 m -139.0 158.45 44.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.911 0.884 . . . . 1.0 112.656 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.2 t -133.93 99.29 13.88 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.94 1.696 . . . . 1.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -70.87 -20.34 29.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.909 2.406 . . . . 1.0 113.294 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.28 -37.17 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.03 1.332 . . . . 1.0 111.163 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.5 m -111.01 -11.33 14.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.961 1.704 . . . . 1.0 113.722 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.9 t30 58.82 57.2 3.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.102 2.561 . . . . 1.0 111.963 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.9 mtm -135.61 170.61 15.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.676 1.59 . . . . 1.0 112.602 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.2 p -131.07 161.08 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.8 1.64 . . . . 1.0 111.769 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.23 147.06 52.55 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.714 1.605 . . . . 1.0 112.259 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 p -76.05 -21.25 56.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 157.32 23.13 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 125.623 1.569 . . . . 1.0 111.949 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.06 -36.62 66.18 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.975 3.117 . . . . 1.0 114.938 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.42 -37.2 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.601 0.76 . . . . 1.0 111.27 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 -39.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.908 0.883 . . . . 1.0 110.107 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.11 74.65 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.22 0.608 . . . . 1.0 110.752 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -43.03 91.74 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.665 0.786 . . . . 1.0 111.585 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.0 m -61.76 -38.08 86.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.889 0.876 . . . . 1.0 111.979 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.29 -48.27 68.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.557 0.743 . . . . 1.0 111.343 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.56 -31.22 67.79 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.365 1.246 . . . . 1.0 114.365 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -89.58 -3.13 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 113.358 0.873 . . . . 1.0 113.358 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.31 160.64 22.14 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.924 1.25 . . . . 1.0 114.066 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -59.54 -30.51 68.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -55.28 -44.09 75.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.287 1.035 . . . . 1.0 111.987 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -68.86 -45.31 71.39 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.826 -0.546 . . . . 1.0 111.227 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.82 -43.88 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.019 1.328 . . . . 1.0 112.205 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -59.96 -40.97 90.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.685 0.794 . . . . 1.0 111.355 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 118.141 -0.933 . . . . 1.0 112.802 176.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 CA-C-O 121.227 0.348 . . . . 1.0 113.741 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -55.8 -38.34 69.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.544 1.138 . . . . 1.0 113.273 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -61.63 -44.91 96.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.585 0.754 . . . . 1.0 112.325 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.07 76.64 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.114 0.565 . . . . 1.0 111.302 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.52 -44.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.004 0.522 . . . . 1.0 110.872 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.24 -47.82 84.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.626 -0.671 . . . . 1.0 110.809 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.67 0.668 . . . . 1.0 111.79 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.94 -40.69 85.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.418 1.087 . . . . 1.0 111.493 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.84 -48.39 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.033 0.933 . . . . 1.0 110.258 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -62.2 -40.79 97.24 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.477 1.035 . . . . 1.0 113.199 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.8 -15.09 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -134.35 36.99 3.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.146 1.378 . . . . 1.0 112.523 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.3 p -52.97 -20.18 3.21 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.737 1.754 . . . . 1.0 115.737 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -75.86 -20.51 58.04 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.73 1.612 . . . . 1.0 113.841 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.14 -19.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.021 1.489 . . . . 1.0 115.021 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -124.56 142.17 51.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.269 1.427 . . . . 1.0 109.301 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 p -145.82 172.74 12.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.472 1.109 . . . . 1.0 111.31 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.18 -11.77 44.07 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.469 0.914 . . . . 1.0 113.469 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.81 -1.15 3.07 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.656 1.724 . . . . 1.0 115.656 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -161.13 146.49 14.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.735 1.607 . . . . 1.0 113.493 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -117.35 114.44 23.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.876 1.271 . . . . 1.0 108.189 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -76.89 -31.57 56.84 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.71 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.227 0.611 . . . . 1.0 110.756 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.2 m -98.7 6.43 46.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.554 1.541 . . . . 1.0 112.724 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m 36.98 55.07 1.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 128.24 2.616 . . . . 1.0 113.276 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.98 143.02 42.59 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.403 1.081 . . . . 1.0 113.408 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.92 148.51 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.049 1.34 . . . . 1.0 109.511 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -126.68 71.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.487 2.315 . . . . 1.0 108.741 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -50.75 -21.6 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 116.907 2.188 . . . . 1.0 116.907 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -144.62 157.43 44.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.372 1.469 . . . . 1.0 110.948 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.85 -35.5 68.93 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.268 0.627 . . . . 1.0 112.388 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.37 -38.46 77.32 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.302 -0.874 . . . . 1.0 112.481 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -69.64 -42.7 73.94 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.719 0.807 . . . . 1.0 110.087 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.71 -47.48 85.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 1.0 110.963 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.02 -41.07 95.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.292 1.037 . . . . 1.0 111.819 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.6 -47.1 61.87 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.961 0.801 . . . . 1.0 112.786 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -61.55 -51.1 70.0 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.997 0.919 . . . . 1.0 112.762 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -68.13 -21.57 64.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -89.66 -15.84 31.76 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.038 0.835 . . . . 1.0 112.727 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 140.4 58.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 1.0 113.803 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.4 -32.6 74.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.833 0.853 . . . . 1.0 111.613 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.35 -42.22 96.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.985 0.914 . . . . 1.0 111.448 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -60.05 -48.93 79.66 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.142 0.577 . . . . 1.0 110.498 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.44 89.26 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.226 0.466 . . . . 1.0 112.167 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.21 -45.41 94.68 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.68 -0.637 . . . . 1.0 111.091 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.68 -43.3 99.12 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.211 1.004 . . . . 1.0 111.348 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 N--CA 1.475 0.784 0 C-N-CA 123.995 0.918 . . . . 1.0 110.691 175.815 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.201 0.815 . . . . 1.0 113.201 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -134.74 -17.83 1.92 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.543 1.537 . . . . 1.0 114.192 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -142.43 159.05 42.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.502 1.521 . . . . 1.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -136.15 89.76 19.45 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.713 2.005 . . . . 1.0 108.684 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.13 -23.45 60.38 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.667 2.245 . . . . 1.0 113.339 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.05 -35.87 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.29 1.036 . . . . 1.0 110.96 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.8 m -109.3 -4.68 16.26 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.778 1.631 . . . . 1.0 113.975 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.06 59.39 4.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.769 2.828 . . . . 1.0 112.794 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.7 ptm -149.17 171.56 16.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.456 1.502 . . . . 1.0 112.948 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -128.45 168.79 15.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.111 1.764 . . . . 1.0 112.777 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -130.9 147.0 52.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.612 1.165 . . . . 1.0 113.328 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 p -69.07 -37.93 78.76 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 1.0 113.305 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 m -141.23 155.07 68.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 125.751 1.62 . . . . 1.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.46 -28.84 78.26 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.361 2.707 . . . . 1.0 114.178 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.97 -37.23 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 1.0 110.805 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.52 -42.91 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.846 0.858 . . . . 1.0 109.988 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.44 73.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.847 0.859 . . . . 1.0 112.913 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -39.24 93.52 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.42 -0.8 . . . . 1.0 112.109 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.6 m -64.19 -38.67 91.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.856 0.862 . . . . 1.0 112.139 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -61.92 -49.67 75.24 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.608 -0.683 . . . . 1.0 111.641 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -56.21 -14.7 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.27 6.17 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.099 1.36 . . . . 1.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.72 159.48 19.06 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.211 1.386 . . . . 1.0 113.766 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.02 -36.11 67.61 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.226 1.195 . . . . 1.0 114.226 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -56.13 -41.7 75.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.981 0.913 . . . . 1.0 111.807 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.19 -44.29 68.99 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.449 0.7 . . . . 1.0 110.968 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.22 -38.55 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.271 1.029 . . . . 1.0 111.982 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -59.05 -36.2 74.64 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.27 -0.894 . . . . 1.0 110.995 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 118.219 -0.896 . . . . 1.0 111.467 174.742 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.212 0 CA-C-O 121.94 0.745 . . . . 1.0 114.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.53 -38.59 87.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.489 0.716 . . . . 1.0 112.652 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -58.18 -46.18 86.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.722 1.209 . . . . 1.0 113.249 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.79 85.28 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.84 -0.538 . . . . 1.0 111.562 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.2 -43.49 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.098 0.559 . . . . 1.0 110.688 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.87 -44.17 94.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.783 0.833 . . . . 1.0 111.085 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.32 -44.08 92.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.338 0.655 . . . . 1.0 111.231 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.19 -42.54 91.1 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.331 1.452 . . . . 1.0 111.47 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.8 -49.67 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.798 0.839 . . . . 1.0 109.725 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.76 -46.62 84.27 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.336 1.454 . . . . 1.0 113.364 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.74 -15.47 63.15 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.455 1.102 . . . . 1.0 113.664 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -130.99 36.04 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.404 1.482 . . . . 1.0 112.385 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -54.12 -19.1 4.44 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.633 1.716 . . . . 1.0 115.633 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -75.38 -19.22 59.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.672 1.589 . . . . 1.0 113.648 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.7 pt -130.77 -19.33 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.0 1.481 . . . . 1.0 115.0 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -123.94 150.2 45.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.044 1.338 . . . . 1.0 109.965 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -149.01 173.51 13.28 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.034 0.933 . . . . 1.0 111.959 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -17.4 56.65 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.978 1.311 . . . . 1.0 113.503 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -135.87 0.32 2.65 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.804 1.779 . . . . 1.0 115.804 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -159.22 146.49 17.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.909 1.686 . . . . 1.0 113.539 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -117.75 115.45 25.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.986 1.314 . . . . 1.0 109.807 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.52 -37.9 65.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.285 0.846 . . . . 1.0 113.285 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.95 -40.85 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.462 1.105 . . . . 1.0 111.722 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.41 7.25 44.36 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.946 1.298 . . . . 1.0 112.022 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 p 34.1 52.49 0.48 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.327 3.051 . . . . 1.0 114.19 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.23 149.57 47.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.82 1.248 . . . . 1.0 113.516 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.89 148.05 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.222 1.409 . . . . 1.0 109.677 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.8 mt -122.55 75.04 1.22 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.631 2.372 . . . . 1.0 107.879 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 pt -51.66 -19.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 117.192 2.293 . . . . 1.0 117.192 -173.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 t -154.16 164.12 39.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.817 1.247 . . . . 1.0 111.04 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.5 -38.06 74.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.798 0.839 . . . . 1.0 112.766 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 p -61.58 -39.54 91.54 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.807 1.185 . . . . 1.0 112.335 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -67.92 -43.81 78.32 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.858 -0.526 . . . . 1.0 110.316 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -59.3 -47.76 84.16 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.594 0.634 . . . . 1.0 111.324 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.32 -54.07 50.09 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.375 1.07 . . . . 1.0 110.492 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.39 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.402 0.89 . . . . 1.0 113.402 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -66.25 -51.36 58.31 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.801 -0.562 . . . . 1.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.22 -26.52 63.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -69.09 -27.94 66.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.897 1.073 . . . . 1.0 113.897 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -75.51 147.46 39.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -27.52 68.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.816 1.646 . . . . 1.0 111.817 174.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.66 -43.19 94.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.083 1.353 . . . . 1.0 111.222 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -60.21 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.17 0.588 . . . . 1.0 110.29 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.94 73.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.608 0.596 . . . . 1.0 112.608 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.64 -42.51 82.15 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.202 -0.936 . . . . 1.0 111.152 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.55 -36.67 84.49 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.5 -0.75 . . . . 1.0 110.952 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 N--CA 1.479 0.985 0 CA-C-N 119.227 0.921 . . . . 1.0 109.988 173.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 116.029 1.862 . . . . 1.0 116.029 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.23 -15.63 4.12 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.549 1.685 . . . . 1.0 115.549 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.9 t -145.15 157.04 44.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.965 1.306 . . . . 1.0 111.769 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -140.58 88.02 11.21 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.267 1.427 . . . . 1.0 110.908 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.63 -27.19 82.12 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.59 2.86 . . . . 1.0 113.973 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.41 -28.14 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.886 1.674 . . . . 1.0 112.075 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.25 -8.68 9.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.976 1.711 . . . . 1.0 113.485 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.11 57.94 3.78 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 128.911 2.884 . . . . 1.0 111.602 -176.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.5 mtm -137.01 169.13 18.3 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.306 1.442 . . . . 1.0 112.946 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 39.6 p -132.02 161.07 34.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.478 1.911 . . . . 1.0 110.824 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -131.12 142.49 50.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.973 0.909 . . . . 1.0 112.635 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -80.08 -10.77 59.79 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.259 1.424 . . . . 1.0 114.37 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 t -151.09 145.57 18.23 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 125.563 1.545 . . . . 1.0 111.111 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -64.69 -26.21 61.06 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.776 2.317 . . . . 1.0 112.501 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -66.23 -39.52 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.445 0.698 . . . . 1.0 110.449 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.67 -43.91 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.809 0.843 . . . . 1.0 109.914 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.01 74.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.409 0.684 . . . . 1.0 111.715 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.63 -42.26 87.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.829 0.851 . . . . 1.0 111.752 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 t -64.92 -43.31 93.21 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.554 0.742 . . . . 1.0 111.286 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -61.96 -48.85 78.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.996 0.919 . . . . 1.0 112.864 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -56.92 -17.38 9.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.009 1.485 . . . . 1.0 115.009 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -113.71 3.69 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.056 1.343 . . . . 1.0 113.469 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.03 158.04 24.61 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.585 1.088 . . . . 1.0 113.496 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.55 -30.54 68.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.63 0.974 . . . . 1.0 113.63 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.9 m -59.36 -42.54 91.84 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.248 1.019 . . . . 1.0 111.53 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -65.47 -44.09 88.23 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.529 0.731 . . . . 1.0 110.982 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.74 -41.69 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.828 1.251 . . . . 1.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.64 -39.69 85.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.178 0.991 . . . . 1.0 111.411 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 . . . . . 0 CA--C 1.546 0.804 0 CA-C-O 118.643 -0.694 . . . . 1.0 112.697 176.645 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.161 0 CA-C-O 121.045 0.247 . . . . 1.0 113.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -56.22 -43.4 78.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.086 1.354 . . . . 1.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.88 -43.81 87.22 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.036 0.934 . . . . 1.0 112.085 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.76 98.12 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.312 0.486 . . . . 1.0 112.312 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.5 t -65.89 -46.75 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.816 0.735 . . . . 1.0 111.232 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -65.59 -37.51 86.86 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.668 -0.645 . . . . 1.0 111.817 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -65.52 -44.07 88.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.165 0.586 . . . . 1.0 111.408 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.13 -42.27 98.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.846 0.858 . . . . 1.0 111.384 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.89 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.841 0.857 . . . . 1.0 109.997 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -59.19 -44.43 92.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.397 1.079 . . . . 1.0 113.17 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.63 -14.2 61.54 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.142 1.164 . . . . 1.0 114.142 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -134.5 39.25 3.05 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.052 1.341 . . . . 1.0 112.524 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.6 p -53.38 -18.57 2.68 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.543 1.682 . . . . 1.0 115.543 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.51 -21.18 56.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.755 1.622 . . . . 1.0 113.894 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.85 -19.54 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 114.983 1.475 . . . . 1.0 114.983 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -123.95 149.08 46.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.335 1.454 . . . . 1.0 109.377 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -151.85 169.49 22.14 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.109 0.964 . . . . 1.0 111.791 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.89 -19.3 50.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.766 1.227 . . . . 1.0 113.958 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.8 p -133.64 3.39 3.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.786 1.772 . . . . 1.0 115.786 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.84 145.86 10.87 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.643 1.565 . . . . 1.0 113.472 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -117.26 116.47 27.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.415 1.486 . . . . 1.0 109.259 173.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -76.96 -33.19 57.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.713 1.005 . . . . 1.0 113.713 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.11 -40.54 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.148 0.886 . . . . 1.0 110.588 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -98.99 6.6 46.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.704 1.202 . . . . 1.0 112.619 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m 36.84 55.63 1.19 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.387 2.675 . . . . 1.0 113.432 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.16 143.2 42.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.283 1.033 . . . . 1.0 113.465 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.89 146.98 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.982 1.313 . . . . 1.0 109.488 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -124.37 75.17 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.406 2.282 . . . . 1.0 108.855 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 pt -53.29 -15.75 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -155.51 160.43 40.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.055 1.342 . . . . 1.0 110.829 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.65 -34.69 69.62 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.95 0.9 . . . . 1.0 112.376 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -62.5 -41.49 98.86 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 1.0 111.904 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.42 -41.73 79.95 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.613 0.765 . . . . 1.0 110.431 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -60.21 -47.64 85.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.405 0.682 . . . . 1.0 110.642 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.6 -44.66 96.01 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.717 1.207 . . . . 1.0 111.476 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.91 86.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.78 0.718 . . . . 1.0 112.185 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.88 -51.29 62.8 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.49 0.552 . . . . 1.0 112.49 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -68.45 -27.75 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.837 1.051 . . . . 1.0 113.837 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -82.86 -15.04 53.09 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.499 1.045 . . . . 1.0 112.825 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -64.45 138.85 58.64 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.712 1.004 . . . . 1.0 113.712 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -62.44 -32.64 73.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.94 0.896 . . . . 1.0 111.484 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -61.89 -45.27 94.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.191 0.996 . . . . 1.0 111.212 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -63.76 -49.66 72.12 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.473 0.709 . . . . 1.0 110.653 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.51 91.81 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.49 -47.03 85.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.616 0.767 . . . . 1.0 111.093 176.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.47 -41.19 96.86 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.341 0.519 . . . . 1.0 111.611 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.675 0.79 . . . . 1.0 111.118 176.099 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 115.821 1.785 . . . . 1.0 115.821 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -135.5 -14.18 1.96 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.983 1.713 . . . . 1.0 114.713 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.4 p -150.03 162.81 39.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.81 1.411 . . . . 1.0 114.81 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.9 t -146.16 95.22 4.78 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.107 1.763 . . . . 1.0 110.307 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.28 -25.0 31.23 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.756 2.304 . . . . 1.0 113.293 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.81 -28.2 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.818 1.247 . . . . 1.0 111.52 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -121.27 1.3 10.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.428 1.891 . . . . 1.0 114.364 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.29 9.1 p30 45.95 54.16 8.3 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 129.087 2.955 . . . . 1.0 113.893 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.48 168.34 18.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.454 1.501 . . . . 1.0 112.884 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -130.96 160.26 35.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.455 1.902 . . . . 1.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -131.19 144.72 51.56 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.962 1.305 . . . . 1.0 111.794 -176.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 p -72.27 -35.19 68.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 m -144.79 156.63 55.74 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.219 1.407 . . . . 1.0 112.305 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.56 -41.58 44.35 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.991 3.127 . . . . 1.0 115.22 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.1 t -63.56 -34.24 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.567 -0.708 . . . . 1.0 112.029 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.76 -40.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.639 0.776 . . . . 1.0 109.69 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.66 77.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.049 0.54 . . . . 1.0 110.802 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.44 -43.06 88.62 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.584 -0.698 . . . . 1.0 111.123 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.9 m -59.78 -35.94 75.68 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.881 0.872 . . . . 1.0 112.127 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.1 -50.32 29.08 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.231 0.469 . . . . 1.0 111.122 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -60.7 -38.91 86.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.109 1.151 . . . . 1.0 114.109 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -81.34 -16.2 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.077 0.853 . . . . 1.0 113.214 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.97 161.78 33.42 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.524 1.059 . . . . 1.0 113.857 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.91 -21.09 66.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.977 1.102 . . . . 1.0 113.977 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 m -55.01 -44.06 74.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.57 1.148 . . . . 1.0 111.522 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -70.37 -44.91 67.1 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.592 0.757 . . . . 1.0 111.766 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.99 -34.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.179 1.392 . . . . 1.0 112.235 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.01 -43.47 77.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 1.0 110.318 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.535 0.404 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.563 175.345 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.097 0 CA-C-O 120.801 0.112 . . . . 1.0 113.053 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.86 -41.44 74.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.762 1.225 . . . . 1.0 113.077 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.897 0.879 . . . . 1.0 112.113 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.82 80.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 1.0 111.075 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.31 -45.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.019 0.528 . . . . 1.0 110.531 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -58.99 -45.3 90.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.498 0.719 . . . . 1.0 111.417 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.1 m -64.19 -43.38 95.25 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.421 0.689 . . . . 1.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.1 -43.89 91.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.476 1.11 . . . . 1.0 111.402 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.89 -48.7 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.109 0.963 . . . . 1.0 110.049 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.04 -47.4 81.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.019 1.327 . . . . 1.0 112.643 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -15.87 62.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.526 1.13 . . . . 1.0 114.044 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -132.34 39.85 3.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.568 1.147 . . . . 1.0 113.769 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -54.16 -19.1 4.52 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.441 1.645 . . . . 1.0 115.441 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -77.77 -15.2 59.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.459 1.904 . . . . 1.0 114.135 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.3 pt -135.14 -20.86 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.631 1.345 . . . . 1.0 114.631 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -124.28 148.34 47.47 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.417 1.487 . . . . 1.0 109.283 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.8 p -152.11 171.81 17.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.858 0.837 . . . . 1.0 112.488 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.61 -20.28 60.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.108 1.363 . . . . 1.0 114.266 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -134.7 2.55 3.19 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.673 1.731 . . . . 1.0 115.673 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -161.83 146.2 12.76 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.481 1.491 . . . . 1.0 113.198 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.9 t -117.29 114.92 24.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.981 1.312 . . . . 1.0 109.361 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.58 -38.9 65.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.321 1.448 . . . . 1.0 114.034 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.26 -40.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 118.868 0.758 . . . . 1.0 111.091 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -97.23 0.86 48.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.971 1.308 . . . . 1.0 112.592 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m 37.37 55.73 1.38 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.487 2.715 . . . . 1.0 112.829 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.05 144.5 43.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.918 1.287 . . . . 1.0 112.901 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.84 146.69 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.939 1.296 . . . . 1.0 109.961 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.91 72.3 1.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.544 2.338 . . . . 1.0 108.579 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 pt -51.84 -21.79 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 117.133 2.272 . . . . 1.0 117.133 -174.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -145.62 157.32 43.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.295 1.438 . . . . 1.0 111.157 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.94 -40.49 76.5 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.466 -0.771 . . . . 1.0 112.438 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -60.64 -39.77 89.54 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.278 0.945 . . . . 1.0 111.988 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -66.11 -41.99 89.81 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.238 1.015 . . . . 1.0 110.665 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -61.76 -47.79 83.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.61 0.764 . . . . 1.0 110.537 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.15 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.292 1.037 . . . . 1.0 111.571 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.62 76.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.596 0.634 . . . . 1.0 112.073 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -61.54 -51.58 68.02 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.592 0.633 . . . . 1.0 112.593 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -65.6 -29.14 69.69 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.443 0.905 . . . . 1.0 113.443 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.92 -9.48 53.52 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.793 1.035 . . . . 1.0 113.793 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 m -74.63 141.56 44.64 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.12 -0.987 . . . . 1.0 112.339 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -57.09 -32.92 66.77 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.245 1.018 . . . . 1.0 113.221 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -59.94 -39.87 87.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.675 1.19 . . . . 1.0 112.179 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -66.17 -48.99 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.514 0.726 . . . . 1.0 110.245 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.18 85.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.048 0.539 . . . . 1.0 111.997 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.41 -47.34 86.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.415 0.686 . . . . 1.0 111.428 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.43 -38.48 91.18 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.905 -0.569 . . . . 1.0 112.431 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 N--CA 1.477 0.881 0 CA-C-N 119.164 0.893 . . . . 1.0 110.56 174.578 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.963 0.727 . . . . 1.0 112.963 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.04 -15.06 20.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.949 1.299 . . . . 1.0 111.888 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -150.53 172.36 15.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.665 1.986 . . . . 1.0 112.228 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -136.54 102.11 9.69 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.672 1.989 . . . . 1.0 108.609 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.35 -19.11 25.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.064 2.509 . . . . 1.0 114.247 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.67 -41.73 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.161 0.891 . . . . 1.0 110.286 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.08 -12.33 20.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.003 1.321 . . . . 1.0 113.34 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.85 59.54 3.13 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.27 2.628 . . . . 1.0 112.022 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtm -133.58 167.73 19.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.545 1.538 . . . . 1.0 112.545 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.4 p -122.82 157.53 32.26 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.178 1.791 . . . . 1.0 111.782 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.27 147.15 52.55 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.192 1.397 . . . . 1.0 112.944 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.1 p -81.04 -15.28 56.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.668 1.187 . . . . 1.0 113.809 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -157.49 147.87 15.93 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.998 1.719 . . . . 1.0 111.192 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.01 -21.61 73.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.111 2.54 . . . . 1.0 112.841 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.88 -38.11 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.421 -0.799 . . . . 1.0 109.939 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 t -65.22 -41.78 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.756 0.822 . . . . 1.0 110.248 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.34 78.03 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.288 0.635 . . . . 1.0 111.203 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.31 -43.39 92.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.408 0.683 . . . . 1.0 112.177 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.2 m -67.46 -38.48 84.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.23 0.612 . . . . 1.0 112.057 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.44 -47.29 84.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.343 1.057 . . . . 1.0 112.043 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.63 -22.05 63.38 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.833 1.419 . . . . 1.0 114.833 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.3 pt -101.11 3.6 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.343 1.057 . . . . 1.0 112.952 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.49 155.72 18.95 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.269 1.414 . . . . 1.0 112.86 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.89 -30.96 64.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.101 1.149 . . . . 1.0 114.101 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.0 m -56.83 -44.29 81.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.077 0.951 . . . . 1.0 112.153 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.17 -43.43 70.85 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.679 -0.638 . . . . 1.0 111.343 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.67 -42.28 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.904 1.281 . . . . 1.0 111.202 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.29 -44.56 92.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.238 1.015 . . . . 1.0 110.613 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 117.986 -1.007 . . . . 1.0 113.1 177.775 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 113.599 0.963 . . . . 1.0 113.599 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -132.59 10.8 4.4 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.829 1.652 . . . . 1.0 112.848 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.8 167.64 23.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.854 1.662 . . . . 1.0 112.134 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -135.75 -5.16 2.21 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.91 2.084 . . . . 1.0 112.397 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -155.83 -177.48 29.09 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.384 1.468 . . . . 1.0 113.469 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -153.45 167.67 28.68 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.26 1.424 . . . . 1.0 111.242 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.67 178.7 42.06 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.729 1.157 . . . . 1.0 113.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -144.25 141.71 30.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.459 1.104 . . . . 1.0 112.475 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.61 165.26 36.77 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.643 1.977 . . . . 1.0 110.587 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -150.61 126.69 10.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.923 0.889 . . . . 1.0 111.874 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -138.53 14.22 2.75 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.233 1.813 . . . . 1.0 112.803 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.25 161.26 79.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 127.356 2.262 . . . . 1.0 112.888 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.67 154.42 74.51 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.612 2.208 . . . . 1.0 110.612 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.0 t -136.69 109.91 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.559 1.143 . . . . 1.0 109.442 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.97 165.48 40.75 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.003 1.287 . . . . 1.0 114.311 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.94 -39.87 72.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.21 1.404 . . . . 1.0 114.092 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -61.34 -44.03 97.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.322 0.649 . . . . 1.0 111.984 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.79 80.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.034 0.534 . . . . 1.0 111.458 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.83 -46.33 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.29 0.495 . . . . 1.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.17 -43.15 99.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.966 0.803 . . . . 1.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.7 m -62.55 -44.32 96.63 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.858 -0.526 . . . . 1.0 111.347 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.44 -41.6 94.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.713 1.205 . . . . 1.0 111.748 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.9 -50.09 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.09 0.956 . . . . 1.0 110.045 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.85 -42.45 99.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.697 0.799 . . . . 1.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.73 -13.79 62.2 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.779 1.029 . . . . 1.0 113.779 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -133.06 37.01 3.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.342 1.457 . . . . 1.0 112.177 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -52.95 -19.5 2.65 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.574 1.694 . . . . 1.0 115.574 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -75.81 -21.09 57.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.681 1.593 . . . . 1.0 113.746 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.4 pt -130.93 -19.94 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.147 1.536 . . . . 1.0 115.147 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -123.12 149.6 44.3 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.567 1.547 . . . . 1.0 109.444 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -151.3 169.6 21.56 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.267 1.027 . . . . 1.0 111.633 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.38 -15.14 23.24 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.983 1.313 . . . . 1.0 114.187 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -143.2 10.47 1.71 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -162.26 142.81 10.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 119.921 -1.737 . . . . 1.0 112.693 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.5 t -117.05 114.67 24.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 1.0 108.542 173.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -73.79 -36.1 64.98 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.585 0.754 . . . . 1.0 112.964 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.1 t -55.66 -43.35 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.973 0.909 . . . . 1.0 111.142 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -97.05 2.67 51.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.289 1.436 . . . . 1.0 112.649 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 38.5 55.63 1.85 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.21 2.604 . . . . 1.0 112.601 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.54 143.32 43.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.791 1.236 . . . . 1.0 112.826 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.9 t -88.39 148.56 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.821 1.248 . . . . 1.0 109.561 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.0 mt -125.33 72.49 1.25 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.812 2.445 . . . . 1.0 108.414 -175.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -14.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 116.896 2.184 . . . . 1.0 116.896 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -152.68 158.57 42.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.07 1.348 . . . . 1.0 110.879 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -57.19 -35.66 69.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.112 0.965 . . . . 1.0 112.523 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -62.09 -39.67 93.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.834 1.197 . . . . 1.0 112.165 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -69.12 -41.21 77.67 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.674 -0.641 . . . . 1.0 110.41 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -59.96 -47.6 85.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.963 0.801 . . . . 1.0 111.121 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.38 -41.67 98.81 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.951 1.3 . . . . 1.0 111.459 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.17 71.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.618 0.645 . . . . 1.0 112.3 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.11 -51.31 67.04 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.703 0.683 . . . . 1.0 112.445 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -66.49 -19.25 65.74 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -100.21 -5.49 27.57 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.636 1.174 . . . . 1.0 112.565 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 t -67.26 142.75 56.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.46 1.104 . . . . 1.0 112.99 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.8 mmt-85 -65.01 -32.36 74.05 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.855 0.862 . . . . 1.0 111.234 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -65.3 -45.29 84.97 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.032 0.933 . . . . 1.0 110.96 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.015 0.926 . . . . 1.0 110.912 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.29 86.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.765 0.654 . . . . 1.0 112.765 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -63.92 -43.58 95.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.722 -0.611 . . . . 1.0 110.879 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -60.35 -43.81 96.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.689 0.796 . . . . 1.0 111.368 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.92 -44.13 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.288 1.035 . . . . 1.0 110.782 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.0 ttp-105 -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.373 0.988 . . . . 1.0 111.822 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -65.67 -48.37 72.32 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.86 0.864 . . . . 1.0 111.02 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.81 -46.25 84.95 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.879 0.872 . . . . 1.0 112.038 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.3 mmt -59.86 -38.6 82.58 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.861 0.864 . . . . 1.0 112.099 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.45 -38.3 81.0 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.272 0.629 . . . . 1.0 112.061 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.71 -37.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.979 1.312 . . . . 1.0 111.143 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.32 47.31 0.12 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.419 2.288 . . . . 1.0 114.103 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -132.69 0.02 3.54 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.012 1.725 . . . . 1.0 113.54 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.87 -179.71 48.8 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.792 1.187 . . . . 1.0 113.324 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -151.76 156.71 40.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.995 1.318 . . . . 1.0 111.531 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.24 -179.92 3.59 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.399 1.48 . . . . 1.0 112.63 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.1 m -65.71 141.23 58.42 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.634 -1.292 . . . . 1.0 112.611 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -139.16 138.66 21.22 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 126.354 1.862 . . . . 1.0 108.381 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -64.38 -11.71 29.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.189 2.592 . . . . 1.0 116.232 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.83 36.75 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 128.285 2.634 . . . . 1.0 114.982 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -52.86 -44.47 66.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.94 2.496 . . . . 1.0 114.631 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -146.48 162.72 37.68 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.683 1.993 . . . . 1.0 111.472 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -154.92 155.93 35.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.318 1.447 . . . . 1.0 111.922 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -155.61 -35.58 0.09 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.235 1.414 . . . . 1.0 114.505 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.56 164.48 34.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 1.0 111.608 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.58 153.34 65.18 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 125.222 1.409 . . . . 1.0 111.902 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.54 -7.22 19.29 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 124.241 3.294 . . . . 1.0 114.222 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.95 158.46 43.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.682 1.593 . . . . 1.0 111.722 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -95.86 3.01 54.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.4 mm -56.88 122.29 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.987 0.915 . . . . 1.0 110.676 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 m -136.83 -5.5 1.93 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.409 1.263 . . . . 1.0 114.409 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -136.93 15.09 3.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.603 1.561 . . . . 1.0 112.912 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.35 -177.96 50.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.877 1.227 . . . . 1.0 114.451 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -126.66 12.99 7.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.423 1.489 . . . . 1.0 112.437 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -69.88 151.13 46.03 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.4 1.48 . . . . 1.0 113.177 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -58.26 -27.52 64.08 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.768 1.227 . . . . 1.0 113.209 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p -72.81 -7.8 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.658 1.183 . . . . 1.0 114.19 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -129.76 -23.05 2.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.738 1.384 . . . . 1.0 114.738 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.79 163.94 37.42 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.27 1.395 . . . . 1.0 114.501 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -136.22 108.15 9.56 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 125.204 1.402 . . . . 1.0 110.493 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.22 -19.46 25.85 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.144 2.562 . . . . 1.0 114.236 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.5 -41.58 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-N 119.272 0.942 . . . . 1.0 109.968 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 57.2 m -95.59 -16.7 21.93 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.957 1.303 . . . . 1.0 113.36 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.79 56.23 4.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.762 2.425 . . . . 1.0 111.346 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.8 mtm -135.13 167.19 21.43 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.572 1.549 . . . . 1.0 112.723 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.4 p -126.65 159.28 34.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.301 1.84 . . . . 1.0 111.262 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -131.11 144.96 51.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.356 1.462 . . . . 1.0 111.107 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.5 p -69.2 -39.64 78.51 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.302 1.223 . . . . 1.0 114.302 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.3 t -139.77 149.38 59.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.596 1.558 . . . . 1.0 111.959 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.39 -37.75 25.73 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 124.094 3.196 . . . . 1.0 114.856 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.29 -35.65 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 119.106 0.866 . . . . 1.0 112.039 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.08 -41.51 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.779 0.831 . . . . 1.0 109.689 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.72 91.01 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.188 0.595 . . . . 1.0 111.529 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.44 -43.29 93.16 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.542 -0.724 . . . . 1.0 110.609 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.4 m -63.45 -40.01 96.0 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.111 0.964 . . . . 1.0 111.802 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.44 -50.54 69.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.713 0.805 . . . . 1.0 111.683 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -61.17 -14.79 27.63 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.2 1.555 . . . . 1.0 115.2 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.74 1.53 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.933 1.293 . . . . 1.0 113.334 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.08 170.02 14.84 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.879 1.228 . . . . 1.0 114.635 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.62 -29.99 64.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.554 1.141 . . . . 1.0 113.943 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.5 m -53.21 -44.18 67.81 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.403 1.081 . . . . 1.0 111.889 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.49 -46.04 64.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.047 0.539 . . . . 1.0 111.545 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.86 -40.59 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.841 1.257 . . . . 1.0 112.462 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -57.95 -36.88 73.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.236 1.014 . . . . 1.0 111.103 174.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -78.8 -29.89 45.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 118.09 -0.957 . . . . 1.0 112.724 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.72 -49.95 71.66 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 120.479 1.49 . . . . 1.0 109.495 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.59 -35.56 80.92 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.611 1.164 . . . . 1.0 112.256 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -49.8 73.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.549 0.74 . . . . 1.0 110.92 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -68.12 -37.94 81.67 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.484 0.714 . . . . 1.0 112.255 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.02 -36.75 85.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.764 1.625 . . . . 1.0 112.53 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--O 1.239 0.502 0 C-N-CA 125.978 1.711 . . . . 1.0 110.243 -179.581 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.035 0 N-CA-C 114.541 1.311 . . . . 1.0 114.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.7 -17.91 61.5 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.667 1.587 . . . . 1.0 114.727 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -144.15 147.49 33.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.02 1.328 . . . . 1.0 112.511 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -152.2 30.72 0.55 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.745 1.218 . . . . 1.0 112.654 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.9 0.42 48.35 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.901 1.238 . . . . 1.0 114.733 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -74.25 166.25 23.78 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.066 1.347 . . . . 1.0 112.379 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.81 -27.94 45.5 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 116.06 1.184 . . . . 1.0 116.06 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -79.29 -6.08 55.9 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.38 139.03 54.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.142 0.977 . . . . 1.0 112.394 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -159.11 137.93 11.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.474 1.51 . . . . 1.0 110.544 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -122.82 7.05 9.35 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.466 1.506 . . . . 1.0 113.038 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -77.41 156.93 80.94 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.544 1.938 . . . . 1.0 112.829 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.34 167.05 23.34 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.62 2.88 . . . . 1.0 111.131 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.08 22.76 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-O 122.386 1.088 . . . . 1.0 113.68 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.75 167.13 32.29 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.299 1.428 . . . . 1.0 112.773 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -56.07 -37.5 69.38 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.347 0.869 . . . . 1.0 113.347 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.4 -44.89 95.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.339 0.655 . . . . 1.0 111.664 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.55 80.25 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.148 0.579 . . . . 1.0 111.332 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.78 -43.08 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.353 0.661 . . . . 1.0 110.68 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.93 -47.18 86.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.792 0.837 . . . . 1.0 111.353 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.6 m -63.97 -42.03 97.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.226 0.466 . . . . 1.0 111.643 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.97 -43.23 95.23 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.388 1.075 . . . . 1.0 111.375 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.13 -47.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.063 0.945 . . . . 1.0 110.007 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.33 -47.13 84.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.254 1.021 . . . . 1.0 112.496 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.14 -14.11 61.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -131.42 35.24 3.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.252 1.421 . . . . 1.0 112.622 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -53.43 -22.45 7.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.128 1.529 . . . . 1.0 115.128 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -74.01 -12.68 60.7 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.078 1.751 . . . . 1.0 113.936 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.33 -24.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.041 1.497 . . . . 1.0 115.041 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -120.18 150.74 40.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.989 1.316 . . . . 1.0 110.042 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.8 p -154.06 169.1 24.32 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.395 1.078 . . . . 1.0 112.022 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.09 -19.34 43.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.228 1.411 . . . . 1.0 114.085 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.6 p -134.68 3.08 3.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.893 1.812 . . . . 1.0 115.893 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -161.96 144.84 11.79 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.556 1.526 . . . . 1.0 113.327 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.14 114.91 24.38 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.163 1.385 . . . . 1.0 109.115 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -78.78 -32.04 46.33 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.7 -32.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 118.996 0.816 . . . . 1.0 111.269 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -108.45 9.12 27.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.017 1.327 . . . . 1.0 112.568 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m 34.96 55.45 0.74 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.427 2.691 . . . . 1.0 113.804 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.09 144.76 43.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.364 1.066 . . . . 1.0 113.287 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 t -91.21 148.48 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.8 1.24 . . . . 1.0 109.228 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 mt -130.35 67.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.459 2.304 . . . . 1.0 108.574 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 pt -63.33 -9.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -137.64 150.13 47.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.265 1.426 . . . . 1.0 110.951 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.13 -37.95 75.6 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.675 -0.641 . . . . 1.0 112.268 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.2 p -60.07 -40.28 89.0 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.341 -0.849 . . . . 1.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.89 -45.09 87.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.086 0.554 . . . . 1.0 110.286 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -61.22 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.293 0.637 . . . . 1.0 111.448 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.45 -42.73 98.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.947 0.899 . . . . 1.0 111.877 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.71 -42.09 74.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.305 0.957 . . . . 1.0 112.176 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.92 -51.54 63.99 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.765 -0.584 . . . . 1.0 112.165 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -68.11 -17.9 64.5 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.162 1.171 . . . . 1.0 114.162 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.95 -8.32 28.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.485 1.114 . . . . 1.0 113.3 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -74.74 145.94 42.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.71 -27.87 69.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.519 1.127 . . . . 1.0 112.359 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -61.04 -43.03 99.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.766 0.826 . . . . 1.0 110.906 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -62.5 -46.2 89.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.885 0.874 . . . . 1.0 111.158 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.13 86.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.692 0.678 . . . . 1.0 112.427 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -63.59 -46.96 83.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.256 0.622 . . . . 1.0 111.331 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -62.88 -41.05 99.27 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.726 -0.609 . . . . 1.0 112.076 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.59 -42.43 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 118.717 -0.658 . . . . 1.0 110.45 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -57.02 -43.3 81.69 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.597 1.089 . . . . 1.0 111.71 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -66.47 -48.48 69.75 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.494 0.718 . . . . 1.0 111.167 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -58.1 -42.82 86.53 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.366 0.53 . . . . 1.0 112.398 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.52 -33.17 72.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.087 0.955 . . . . 1.0 112.838 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.61 -41.26 46.69 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.594 -0.691 . . . . 1.0 111.238 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.94 -42.07 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.309 1.444 . . . . 1.0 112.454 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -74.13 -4.91 38.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -56.29 133.4 52.62 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.733 1.213 . . . . 1.0 112.19 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 -164.86 35.11 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.36 0.981 . . . . 1.0 113.651 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -144.21 161.63 38.41 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.006 1.722 . . . . 1.0 111.428 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -141.11 21.74 2.26 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.926 1.084 . . . . 1.0 113.926 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.4 p -146.92 159.72 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.832 1.253 . . . . 1.0 112.599 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.6 p -155.06 138.85 11.15 Favored Pre-proline 0 N--CA 1.476 0.851 0 C-N-CA 125.435 1.494 . . . . 1.0 110.087 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.54 -8.42 20.55 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 123.239 2.626 . . . . 1.0 114.59 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 158.25 18.78 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.126 1.37 . . . . 1.0 113.897 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -150.93 153.98 36.28 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.991 1.717 . . . . 1.0 110.817 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -146.63 160.63 41.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.148 1.779 . . . . 1.0 111.593 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -144.31 173.63 11.6 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.675 1.59 . . . . 1.0 111.471 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -66.67 -32.94 74.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.224 1.01 . . . . 1.0 112.467 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.85 166.88 16.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.095 0.958 . . . . 1.0 112.659 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.77 70.31 13.62 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 125.004 1.322 . . . . 1.0 112.116 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 -10.75 18.48 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.14 3.227 . . . . 1.0 117.243 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.83 -10.62 0.9 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.961 1.837 . . . . 1.0 115.961 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -66.14 156.27 34.48 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.53 1.932 . . . . 1.0 112.165 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm -84.57 154.96 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.38 1.072 . . . . 1.0 110.881 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -116.42 28.23 8.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.754 1.622 . . . . 1.0 112.48 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -78.12 -7.72 57.36 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.799 1.64 . . . . 1.0 114.873 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.45 -2.85 86.58 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.985 1.279 . . . . 1.0 114.375 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -110.79 -34.03 6.37 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.195 1.398 . . . . 1.0 111.355 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -70.98 1.71 5.3 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.048 0.939 . . . . 1.0 112.767 174.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.3 ptt-85 -50.8 -22.15 2.01 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.764 2.026 . . . . 1.0 113.792 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.2 m -54.05 -24.41 17.11 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.779 1.632 . . . . 1.0 113.523 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -103.73 -33.4 8.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.65 1.18 . . . . 1.0 113.7 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.6 p -150.51 171.37 17.17 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.911 1.819 . . . . 1.0 115.911 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.0 t -135.94 91.96 16.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.127 1.771 . . . . 1.0 108.987 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.46 -18.31 49.27 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.893 2.395 . . . . 1.0 113.653 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.79 -35.69 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.221 1.008 . . . . 1.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.31 -7.88 14.78 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.555 1.542 . . . . 1.0 113.645 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.5 t30 55.35 59.63 3.83 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.061 2.944 . . . . 1.0 112.428 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 63.5 mtm -134.31 166.67 22.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.523 1.529 . . . . 1.0 112.311 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -128.49 158.64 37.83 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.23 1.812 . . . . 1.0 111.977 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -131.19 147.01 52.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.774 1.229 . . . . 1.0 112.894 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -84.58 -10.97 56.89 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.177 1.391 . . . . 1.0 114.29 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -156.38 149.67 18.75 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 125.381 1.472 . . . . 1.0 111.589 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.45 -29.43 85.11 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.913 2.409 . . . . 1.0 112.244 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.46 -39.82 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.307 -0.871 . . . . 1.0 110.53 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.95 -42.25 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.887 0.875 . . . . 1.0 109.868 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.74 68.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.269 0.628 . . . . 1.0 111.955 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.76 -42.01 96.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.609 -0.682 . . . . 1.0 111.442 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 t -59.72 -40.6 88.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.983 0.913 . . . . 1.0 111.543 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -66.64 -50.37 63.19 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.605 -0.684 . . . . 1.0 111.487 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -57.32 -34.06 68.36 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.351 1.241 . . . . 1.0 114.351 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -87.22 -7.32 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.223 0.919 . . . . 1.0 113.422 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.9 154.59 34.05 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.46 1.029 . . . . 1.0 114.002 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.77 -32.74 70.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.845 0.858 . . . . 1.0 113.297 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.4 m -57.3 -42.12 81.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.203 1.001 . . . . 1.0 111.603 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -68.12 -43.72 77.73 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.125 0.57 . . . . 1.0 111.147 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.92 -42.89 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.418 1.087 . . . . 1.0 111.041 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.61 -38.24 86.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.731 0.812 . . . . 1.0 111.29 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.35 -28.45 68.67 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 118.202 -0.904 . . . . 1.0 112.667 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 mt -57.23 -49.53 75.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.461 1.482 . . . . 1.0 109.733 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -63.11 -36.54 83.94 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.829 1.252 . . . . 1.0 112.056 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.97 -48.36 76.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.776 1.231 . . . . 1.0 111.19 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -65.5 -26.45 67.92 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.307 0.854 . . . . 1.0 113.307 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.12 -12.86 60.18 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 . . . . . 0 N--CA 1.473 0.706 0 CA-C-N 119.774 1.17 . . . . 1.0 112.087 179.028 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.705 0 CA-C-O 120.783 0.325 . . . . 1.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.07 -27.57 63.77 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.876 0.871 . . . . 1.0 113.219 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.12 -13.05 23.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.024 1.329 . . . . 1.0 113.272 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -134.23 14.83 3.83 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.852 2.061 . . . . 1.0 112.185 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.28 32.51 0.22 Allowed Glycine 0 CA--C 1.537 1.426 0 N-CA-C 115.934 1.134 . . . . 1.0 115.934 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -60.26 150.52 30.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.449 1.124 . . . . 1.0 112.514 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.7 171.29 44.37 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.869 1.223 . . . . 1.0 113.434 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.14 173.35 15.61 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.497 1.519 . . . . 1.0 111.272 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.34 -179.74 5.7 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 128.484 2.714 . . . . 1.0 110.124 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp -133.98 118.75 18.2 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.145 -0.972 . . . . 1.0 111.665 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -119.63 41.3 3.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.896 2.478 . . . . 1.0 110.36 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mt -132.39 162.23 58.25 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 127.811 2.445 . . . . 1.0 111.898 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.77 159.11 47.16 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.052 2.501 . . . . 1.0 110.836 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.17 30.23 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.099 0.959 . . . . 1.0 112.054 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.15 168.7 36.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 121.031 -1.043 . . . . 1.0 114.488 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.66 -43.1 75.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.805 1.642 . . . . 1.0 112.688 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -64.45 -44.56 90.73 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.525 0.73 . . . . 1.0 111.899 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.17 90.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.981 0.512 . . . . 1.0 111.629 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.64 -43.0 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 118.469 0.577 . . . . 1.0 110.502 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.82 -47.41 84.91 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.509 -0.744 . . . . 1.0 111.546 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -65.14 -40.2 94.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.018 0.527 . . . . 1.0 111.983 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.33 -43.33 99.05 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.033 0.933 . . . . 1.0 111.573 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.28 -48.42 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 123.833 0.853 . . . . 1.0 109.637 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.81 -46.72 84.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.713 1.205 . . . . 1.0 113.127 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.78 -14.65 62.05 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -131.15 35.88 3.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.272 1.429 . . . . 1.0 112.402 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -53.19 -19.81 3.39 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.572 1.693 . . . . 1.0 115.572 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -76.03 -20.47 57.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.674 1.589 . . . . 1.0 113.734 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.6 pt -130.93 -19.41 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -123.58 144.47 49.56 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.55 1.54 . . . . 1.0 109.044 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -145.85 172.72 12.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.892 0.877 . . . . 1.0 112.169 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.96 -16.3 50.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.048 1.339 . . . . 1.0 113.592 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -137.48 2.35 2.46 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.642 1.719 . . . . 1.0 115.642 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -159.9 147.24 16.56 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.787 1.63 . . . . 1.0 113.35 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.2 t -117.24 114.4 23.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.802 1.241 . . . . 1.0 108.179 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.07 -34.58 64.07 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.615 0.766 . . . . 1.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.8 t -55.55 -48.3 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.388 1.075 . . . . 1.0 110.835 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -93.13 2.83 56.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.051 1.34 . . . . 1.0 112.606 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t 38.44 55.92 1.81 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.527 2.731 . . . . 1.0 112.597 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 143.92 42.6 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 1.0 112.835 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 t -87.89 147.12 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.735 1.214 . . . . 1.0 109.469 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -123.34 71.69 1.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.705 2.402 . . . . 1.0 108.591 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.25 -7.79 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 117.523 2.416 . . . . 1.0 117.523 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -155.74 156.45 34.87 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.241 1.416 . . . . 1.0 110.835 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -59.11 -36.05 74.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.699 0.8 . . . . 1.0 112.639 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.7 p -63.16 -40.42 97.49 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.411 1.005 . . . . 1.0 111.705 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -67.22 -42.41 84.12 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.326 0.651 . . . . 1.0 110.543 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -60.83 -47.5 86.06 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.766 0.712 . . . . 1.0 111.067 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.09 -43.5 98.69 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.323 1.049 . . . . 1.0 111.408 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.57 81.97 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.874 0.761 . . . . 1.0 112.047 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -63.12 -51.34 66.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.243 0.617 . . . . 1.0 112.629 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.16 -18.24 64.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.347 1.24 . . . . 1.0 114.347 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.42 -10.43 23.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.185 0.994 . . . . 1.0 112.877 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -67.39 143.03 56.52 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.668 1.187 . . . . 1.0 113.578 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -61.0 -28.03 68.74 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.472 1.109 . . . . 1.0 112.499 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.03 -42.46 97.07 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.192 0.997 . . . . 1.0 111.295 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -59.77 -43.28 94.42 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.966 0.906 . . . . 1.0 112.337 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.268 0.94 . . . . 1.0 112.194 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -64.31 -42.09 96.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.385 0.674 . . . . 1.0 111.34 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -63.89 -43.01 97.29 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.396 0.678 . . . . 1.0 111.656 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.53 -45.38 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 1.0 110.3 175.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -57.54 -43.46 84.41 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.097 0.862 . . . . 1.0 111.92 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -66.67 -47.02 73.78 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.128 0.971 . . . . 1.0 111.441 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.69 -42.73 93.64 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.256 1.022 . . . . 1.0 111.985 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.4 -33.54 72.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.01 0.924 . . . . 1.0 112.191 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.23 60.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.675 0.79 . . . . 1.0 112.204 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.45 -29.59 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.447 1.499 . . . . 1.0 111.654 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.24 158.79 2.89 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.854 1.662 . . . . 1.0 113.611 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -48.41 129.47 15.87 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.903 1.681 . . . . 1.0 113.682 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.54 25.23 0.03 OUTLIER Glycine 0 CA--C 1.539 1.554 0 C-N-CA 125.453 1.501 . . . . 1.0 114.357 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.39 114.28 1.31 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.973 2.109 . . . . 1.0 113.867 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.76 161.03 29.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.946 1.298 . . . . 1.0 111.98 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.3 p -73.78 -23.37 59.69 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.224 1.194 . . . . 1.0 114.224 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.56 67.52 8.8 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.404 1.481 . . . . 1.0 111.843 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.19 3.35 5.24 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 124.272 3.314 . . . . 1.0 114.892 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 160.72 5.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.381 1.472 . . . . 1.0 114.083 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.43 -32.81 51.52 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.606 1.562 . . . . 1.0 113.972 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.22 62.74 2.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.176 1.79 . . . . 1.0 110.754 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.71 156.76 6.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.74 2.016 . . . . 1.0 113.562 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -103.98 5.79 35.74 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.34 1.978 . . . . 1.0 116.34 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.48 174.95 10.07 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.275 1.03 . . . . 1.0 112.891 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.73 155.38 44.84 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.681 1.592 . . . . 1.0 111.395 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -74.24 39.1 0.51 Allowed 'Trans proline' 0 CA--C 1.551 1.346 1 C-N-CA 125.398 4.065 . . . . 1.0 114.255 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.5 23.72 2.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.797 2.039 . . . . 1.0 111.716 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -60.22 -20.36 58.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.322 1.601 . . . . 1.0 115.322 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.84 -28.1 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 1.0 111.036 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.8 m -67.92 -10.5 53.82 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.833 1.049 . . . . 1.0 113.833 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -144.55 24.92 1.53 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.717 1.607 . . . . 1.0 112.272 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.77 -177.53 39.72 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 121.047 -1.033 . . . . 1.0 114.312 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.31 155.8 40.25 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.888 1.07 . . . . 1.0 113.888 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -80.16 172.46 13.75 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.757 1.223 . . . . 1.0 109.916 172.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 -6.99 -75.47 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 129.234 3.013 . . . . 1.0 115.487 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.9 p 37.8 -37.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 1 C-N-CA 133.371 4.668 . . . . 1.0 121.605 176.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -125.28 -14.08 6.55 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.615 2.766 . . . . 1.0 112.026 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 29.9 p -138.35 161.32 37.24 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.458 1.903 . . . . 1.0 111.017 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.8 t -144.98 89.51 6.49 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 125.131 1.372 . . . . 1.0 110.108 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.3 -19.7 43.63 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.575 2.183 . . . . 1.0 112.752 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.74 -27.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.455 1.502 . . . . 1.0 111.315 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -126.86 -5.5 6.27 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.835 1.654 . . . . 1.0 114.387 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.2 t30 56.13 56.85 5.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 129.248 3.019 . . . . 1.0 112.895 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.1 mtm -138.79 174.91 10.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.707 1.603 . . . . 1.0 112.615 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -132.06 162.88 29.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.778 1.631 . . . . 1.0 112.897 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -131.24 147.09 52.55 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.537 1.535 . . . . 1.0 112.51 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 p -79.35 -16.1 56.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.636 1.175 . . . . 1.0 113.838 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 t -159.0 149.02 15.25 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 125.631 1.572 . . . . 1.0 111.611 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -61.71 -22.35 74.19 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.901 2.401 . . . . 1.0 112.669 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.86 -39.81 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.325 -0.859 . . . . 1.0 109.973 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.33 -41.41 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.873 0.869 . . . . 1.0 109.954 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.17 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.487 0.715 . . . . 1.0 111.954 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.48 -43.05 88.83 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.846 0.858 . . . . 1.0 111.436 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -67.87 -37.06 81.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.134 0.574 . . . . 1.0 111.759 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -63.93 -42.54 97.32 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.473 -0.767 . . . . 1.0 112.37 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.64 -24.98 52.14 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.518 1.303 . . . . 1.0 114.518 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.47 3.17 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.758 1.223 . . . . 1.0 113.073 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.63 142.78 22.07 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.321 0.962 . . . . 1.0 110.911 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -51.49 -38.03 51.96 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.176 1.176 . . . . 1.0 114.176 -176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.6 m -57.5 -44.0 84.64 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.941 0.896 . . . . 1.0 111.731 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -70.1 -42.86 72.13 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.161 0.584 . . . . 1.0 111.153 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.67 -44.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.364 1.065 . . . . 1.0 111.532 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.15 -39.17 85.42 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.766 0.712 . . . . 1.0 111.208 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.31 -23.97 62.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 118.099 -0.953 . . . . 1.0 113.271 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.14 -50.2 74.31 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.675 1.579 . . . . 1.0 109.421 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -61.11 -40.23 92.98 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.56 1.544 . . . . 1.0 111.95 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.04 -41.03 97.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.785 0.834 . . . . 1.0 111.828 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -73.04 -41.7 63.92 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.211 1.004 . . . . 1.0 112.523 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.93 132.61 10.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.268 1.027 . . . . 1.0 112.656 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 124.927 1.291 . . . . 1.0 112.392 177.458 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -77.13 -9.44 58.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.102 1.361 . . . . 1.0 113.756 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -142.54 24.14 1.92 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.385 1.874 . . . . 1.0 112.843 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -146.7 -179.93 7.12 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.676 1.99 . . . . 1.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.28 -169.17 28.54 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 120.975 -1.078 . . . . 1.0 114.75 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -59.58 163.83 3.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.14 1.376 . . . . 1.0 114.319 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.53 172.32 50.69 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.31 0.957 . . . . 1.0 113.849 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -151.59 -179.89 7.8 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.223 2.209 . . . . 1.0 109.145 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.44 157.27 2.91 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.733 -1.229 . . . . 1.0 112.59 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.42 92.36 1.85 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 122.295 1.045 . . . . 1.0 110.774 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -129.42 56.17 1.72 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.261 2.224 . . . . 1.0 108.377 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.13 152.32 80.44 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 1.0 110.868 -174.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 155.08 68.27 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.144 1.896 . . . . 1.0 109.81 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.2 t -134.89 115.13 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.14 0.976 . . . . 1.0 110.492 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.32 168.27 37.79 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.174 1.369 . . . . 1.0 114.69 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -57.64 -29.86 64.92 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.605 1.162 . . . . 1.0 114.027 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.96 -44.56 84.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.937 0.895 . . . . 1.0 112.083 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.5 82.03 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.708 -0.62 . . . . 1.0 110.951 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.1 -41.69 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.176 0.59 . . . . 1.0 110.451 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -60.21 -47.36 86.28 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.453 -0.779 . . . . 1.0 110.918 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -60.94 -44.34 97.38 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.833 0.453 . . . . 1.0 111.391 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.42 -45.02 95.1 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.909 1.284 . . . . 1.0 112.21 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.87 -45.93 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.045 0.938 . . . . 1.0 110.957 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -66.93 -30.64 70.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.517 1.127 . . . . 1.0 113.546 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.5 -14.36 46.22 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.863 0.865 . . . . 1.0 113.148 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -135.0 37.84 3.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.038 1.335 . . . . 1.0 112.698 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -57.87 -14.65 6.48 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.237 1.569 . . . . 1.0 115.237 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -76.01 -19.29 58.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.365 1.466 . . . . 1.0 113.027 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 pt -129.88 -19.03 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.479 1.511 . . . . 1.0 115.027 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -124.89 151.78 44.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.302 . . . . 1.0 110.093 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -155.08 170.16 22.43 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.168 0.987 . . . . 1.0 112.324 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.81 -20.44 50.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.072 1.349 . . . . 1.0 114.096 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -134.79 5.02 3.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -162.97 144.82 10.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.817 1.644 . . . . 1.0 113.331 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -117.17 117.08 28.61 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.259 1.423 . . . . 1.0 109.285 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -75.89 -37.59 58.68 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.629 0.974 . . . . 1.0 113.629 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.3 t -58.28 -37.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.849 0.749 . . . . 1.0 111.188 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.0 m -103.11 8.98 38.62 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.367 1.467 . . . . 1.0 112.346 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.6 p 32.35 54.38 0.34 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.129 2.971 . . . . 1.0 114.357 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.11 146.46 45.1 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.729 1.212 . . . . 1.0 113.373 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.85 149.17 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.186 1.395 . . . . 1.0 109.606 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.1 mt -125.46 74.19 1.37 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.28 2.232 . . . . 1.0 108.688 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 pt -54.82 -13.98 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 117.051 2.241 . . . . 1.0 117.051 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -154.46 158.11 39.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.46 1.504 . . . . 1.0 111.053 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.81 -37.79 71.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.653 0.781 . . . . 1.0 112.904 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.3 p -59.98 -37.62 80.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.522 1.056 . . . . 1.0 112.382 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -69.33 -44.3 71.96 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 1.0 109.802 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -60.3 -47.63 85.21 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.408 0.683 . . . . 1.0 111.113 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.5 -42.97 99.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.033 0.933 . . . . 1.0 111.797 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.92 73.35 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.034 0.834 . . . . 1.0 112.388 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.99 -51.28 62.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.251 0.621 . . . . 1.0 112.204 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -66.3 -25.49 66.87 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.812 1.042 . . . . 1.0 113.812 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.36 -10.68 43.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -64.21 140.98 58.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.48 1.112 . . . . 1.0 113.815 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -62.86 -34.09 76.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.1 0.96 . . . . 1.0 111.384 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -64.26 -45.72 86.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.133 0.973 . . . . 1.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.0 -49.28 76.68 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.552 0.741 . . . . 1.0 110.546 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.63 87.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.919 0.487 . . . . 1.0 112.224 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.66 -47.1 86.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.558 0.743 . . . . 1.0 111.506 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.231 0.613 . . . . 1.0 111.989 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.73 -42.55 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.939 0.896 . . . . 1.0 111.073 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -57.34 -42.95 82.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.411 1.085 . . . . 1.0 111.422 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -67.23 -49.34 64.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.013 0.925 . . . . 1.0 111.141 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.41 -44.33 80.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.149 0.98 . . . . 1.0 112.565 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.2 mmt -58.88 -33.37 70.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.793 1.237 . . . . 1.0 112.576 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.55 32.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.524 0.729 . . . . 1.0 111.144 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.29 -40.51 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.776 1.23 . . . . 1.0 111.154 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.65 -17.76 16.52 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.071 1.748 . . . . 1.0 114.228 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -127.0 19.38 7.08 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.536 1.934 . . . . 1.0 112.435 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.93 41.91 0.6 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.039 1.78 . . . . 1.0 112.549 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.51 42.82 0.1 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 127.213 2.205 . . . . 1.0 113.558 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -71.17 164.31 25.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.616 1.566 . . . . 1.0 112.248 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -54.95 135.36 48.55 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.824 1.25 . . . . 1.0 112.594 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.67 129.91 82.67 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 124.115 0.966 . . . . 1.0 110.521 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -77.2 51.95 3.67 Favored 'Trans proline' 0 CA--C 1.55 1.294 0 C-N-CA 124.897 3.731 . . . . 1.0 112.083 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.19 155.82 16.61 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.441 1.496 . . . . 1.0 113.934 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -64.2 166.75 7.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.602 1.561 . . . . 1.0 113.918 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -72.58 68.24 0.81 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.553 1.941 . . . . 1.0 111.708 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -46.38 -27.81 1.17 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 116.214 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.19 -26.43 66.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.935 1.294 . . . . 1.0 113.351 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.22 161.09 30.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.491 1.116 . . . . 1.0 113.325 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.94 152.06 30.99 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.579 1.551 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.34 144.29 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.989 2.46 . . . . 1.0 112.242 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.57 -35.29 0.08 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.705 1.202 . . . . 1.0 113.662 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -143.49 164.12 31.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.431 1.893 . . . . 1.0 111.362 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.0 -25.58 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.952 1.301 . . . . 1.0 112.561 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.6 p -146.26 -64.31 0.3 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.114 1.366 . . . . 1.0 111.685 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -156.63 -34.09 0.08 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.273 2.229 . . . . 1.0 111.3 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.07 23.26 0.06 OUTLIER Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.914 1.245 . . . . 1.0 114.611 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -151.37 145.7 25.46 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.066 1.346 . . . . 1.0 111.119 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -74.32 63.93 1.07 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.73 1.612 . . . . 1.0 113.035 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -76.91 28.97 0.13 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.368 1.867 . . . . 1.0 114.042 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.7 p -77.67 -13.56 59.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.488 1.515 . . . . 1.0 113.934 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -132.27 -10.03 3.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.841 1.656 . . . . 1.0 114.572 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.83 152.27 40.04 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.215 1.406 . . . . 1.0 112.292 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 25.7 t -136.3 89.99 18.57 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 126.2 1.8 . . . . 1.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.86 -23.46 47.67 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.574 2.183 . . . . 1.0 112.71 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.21 -34.45 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.194 1.397 . . . . 1.0 111.251 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -118.82 -0.03 11.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.288 1.435 . . . . 1.0 114.107 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.309 0.9 OUTLIER 51.11 54.89 10.41 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 129.422 3.089 . . . . 1.0 114.092 -176.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 70.4 mtm -133.11 169.95 16.11 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.585 1.554 . . . . 1.0 112.659 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.9 p -131.75 159.52 38.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.969 1.708 . . . . 1.0 112.239 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.34 147.13 52.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.502 1.521 . . . . 1.0 112.599 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -77.85 -19.41 54.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.371 1.248 . . . . 1.0 114.371 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -160.23 158.51 26.04 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.887 1.675 . . . . 1.0 111.981 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.71 -30.12 91.35 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.458 2.772 . . . . 1.0 113.778 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.56 -38.09 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 121.487 -0.758 . . . . 1.0 110.637 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.13 -34.42 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.287 1.035 . . . . 1.0 110.765 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.06 72.81 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.395 -0.816 . . . . 1.0 109.584 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.06 -43.22 95.57 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.233 1.013 . . . . 1.0 112.467 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 p -60.1 -35.57 75.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.025 0.829 . . . . 1.0 112.181 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.98 -47.01 61.31 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.608 0.763 . . . . 1.0 111.058 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.61 -32.36 72.48 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.93 -4.77 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.481 1.037 . . . . 1.0 113.428 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.06 149.2 19.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.666 1.127 . . . . 1.0 113.354 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.47 -28.7 67.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.407 1.083 . . . . 1.0 113.882 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 m -54.44 -41.02 68.91 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.398 1.079 . . . . 1.0 112.07 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -69.0 -44.59 72.51 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.631 -0.668 . . . . 1.0 111.081 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.45 -37.9 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.723 1.209 . . . . 1.0 112.182 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -59.48 -40.93 88.57 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.281 -0.887 . . . . 1.0 110.449 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.02 -34.64 73.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 118.219 -0.896 . . . . 1.0 112.037 175.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.1 mt -54.51 -48.68 71.62 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.324 1.42 . . . . 1.0 110.275 174.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -61.23 -37.35 82.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.728 1.211 . . . . 1.0 112.929 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.56 -35.85 77.97 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.461 0.704 . . . . 1.0 111.989 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -78.1 -37.74 45.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.621 1.168 . . . . 1.0 112.811 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -153.52 129.97 10.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.612 1.165 . . . . 1.0 112.165 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 125.13 1.372 . . . . 1.0 112.408 178.261 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.764 0 CA-C-O 121.149 0.499 . . . . 1.0 111.66 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.15 -36.29 0.42 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.021 1.328 . . . . 1.0 112.119 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -66.34 -15.65 63.43 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.953 1.701 . . . . 1.0 113.333 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -74.99 -5.89 46.4 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.002 1.721 . . . . 1.0 113.464 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.48 -160.95 9.91 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.487 1.518 . . . . 1.0 113.717 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -143.8 164.93 29.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.179 1.392 . . . . 1.0 111.246 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.72 -24.78 0.07 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.454 1.502 . . . . 1.0 114.187 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.6 -17.36 62.29 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.751 1.22 . . . . 1.0 113.757 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 165.31 7.06 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.27 1.428 . . . . 1.0 113.919 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -147.72 -179.79 7.14 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.939 2.096 . . . . 1.0 110.498 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -68.47 17.31 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.288 2.235 . . . . 1.0 115.099 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.27 152.33 66.71 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.05 2.14 . . . . 1.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.5 158.53 57.26 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.394 2.063 . . . . 1.0 110.501 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -140.65 25.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-O 122.485 1.136 . . . . 1.0 113.391 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.91 168.8 38.0 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.161 1.362 . . . . 1.0 112.792 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -55.98 -43.02 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.814 0.846 . . . . 1.0 112.911 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.76 -41.99 98.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.085 0.954 . . . . 1.0 112.136 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -43.76 77.97 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.057 0.543 . . . . 1.0 111.378 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.71 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.419 0.554 . . . . 1.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.11 -46.96 88.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.483 -0.761 . . . . 1.0 111.053 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.0 m -58.73 -44.04 90.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.139 0.576 . . . . 1.0 111.597 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.34 -41.45 93.62 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.86 1.264 . . . . 1.0 111.883 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.747 0.819 . . . . 1.0 109.888 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -45.67 82.94 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.598 1.159 . . . . 1.0 112.325 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.66 -14.42 62.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.093 1.146 . . . . 1.0 114.093 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -132.2 36.35 3.64 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.06 1.344 . . . . 1.0 112.68 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -54.42 -18.32 4.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.476 1.658 . . . . 1.0 115.476 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -76.12 -15.4 60.09 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.852 1.661 . . . . 1.0 113.839 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.39 -21.57 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.443 1.497 . . . . 1.0 114.633 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -120.0 153.68 35.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.482 1.513 . . . . 1.0 110.313 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.0 p -156.14 169.98 23.25 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.544 1.138 . . . . 1.0 111.041 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.97 -10.46 49.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.63 0.98 3.33 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.345 1.609 . . . . 1.0 115.345 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -163.5 146.15 9.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.421 1.464 . . . . 1.0 113.42 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -117.17 114.68 24.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.179 1.392 . . . . 1.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -76.63 -32.5 58.06 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.11 -37.64 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.389 0.995 . . . . 1.0 111.037 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.7 m -100.22 6.07 44.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 1.0 112.463 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m 36.65 53.61 1.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.671 2.788 . . . . 1.0 113.53 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.19 146.46 44.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.519 1.127 . . . . 1.0 113.384 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -88.03 148.36 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.139 1.376 . . . . 1.0 109.69 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.05 77.22 1.44 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.396 2.279 . . . . 1.0 108.02 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -51.2 -20.52 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 117.096 2.258 . . . . 1.0 117.096 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 t -156.27 171.16 20.68 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.889 1.275 . . . . 1.0 111.377 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.75 -42.29 79.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.136 0.974 . . . . 1.0 111.666 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.518 1.053 . . . . 1.0 112.633 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -65.69 -42.45 91.19 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.815 -0.553 . . . . 1.0 110.327 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -60.63 -47.42 86.29 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.437 0.562 . . . . 1.0 111.185 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.22 -44.57 95.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.567 1.147 . . . . 1.0 111.804 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.84 -42.64 76.88 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.641 0.655 . . . . 1.0 112.407 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -63.56 -51.18 66.51 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.206 0.602 . . . . 1.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.22 -26.87 66.81 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.043 1.127 . . . . 1.0 114.043 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.6 -11.35 51.7 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.958 0.799 . . . . 1.0 113.139 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -67.91 140.88 56.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.072 1.138 . . . . 1.0 114.072 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -63.53 -32.8 74.37 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.11 . . . . 1.0 111.838 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.94 -45.34 92.91 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.236 1.015 . . . . 1.0 111.168 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.28 -49.46 75.57 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.741 0.817 . . . . 1.0 110.678 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.52 88.09 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.522 0.564 . . . . 1.0 112.522 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.707 -0.621 . . . . 1.0 111.657 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -63.33 -41.92 98.92 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.453 -0.779 . . . . 1.0 111.643 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.96 -42.99 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.815 0.846 . . . . 1.0 110.463 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.23 -43.38 87.71 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.17 0.895 . . . . 1.0 111.358 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -47.17 79.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.485 1.114 . . . . 1.0 110.814 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.7 -44.27 96.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.588 1.155 . . . . 1.0 112.193 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.61 -35.87 77.2 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 1.0 111.98 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.03 -4.74 14.31 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.895 1.072 . . . . 1.0 113.895 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.7 mt -116.68 5.0 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.202 0 C-N-CA 127.009 2.124 . . . . 1.0 110.57 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -65.24 3.36 0.65 Allowed 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 116.658 2.096 . . . . 1.0 116.658 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -56.54 149.74 16.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.741 1.616 . . . . 1.0 112.75 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -157.74 -157.63 8.53 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.033 1.302 . . . . 1.0 113.519 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -56.41 153.79 9.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.986 1.714 . . . . 1.0 113.215 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -72.54 48.49 0.19 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.599 2.36 . . . . 1.0 113.882 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -149.45 144.46 26.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.102 1.761 . . . . 1.0 110.773 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.2 p -152.57 136.99 10.53 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 124.717 1.207 . . . . 1.0 110.987 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.3 7.94 3.5 Favored 'Trans proline' 0 CA--C 1.546 1.122 0 C-N-CA 123.975 3.116 . . . . 1.0 114.807 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.81 41.21 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 127.176 2.191 . . . . 1.0 115.348 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -136.27 156.95 47.92 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.624 1.97 . . . . 1.0 111.33 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -148.57 158.19 43.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.726 1.61 . . . . 1.0 111.39 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -143.57 165.22 28.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.953 1.701 . . . . 1.0 111.563 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.79 137.14 58.23 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.827 1.251 . . . . 1.0 113.179 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.89 165.42 36.15 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.905 1.682 . . . . 1.0 111.192 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.88 149.71 26.04 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.748 1.219 . . . . 1.0 112.06 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.24 169.79 21.75 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.743 2.962 . . . . 1.0 112.761 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.05 155.38 41.42 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.441 1.496 . . . . 1.0 111.523 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -142.43 6.93 1.71 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.481 1.112 . . . . 1.0 113.324 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.22 34.83 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.326 1.451 . . . . 1.0 111.607 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -57.77 -21.68 42.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.966 1.706 . . . . 1.0 114.284 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.85 -27.86 69.16 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.045 1.338 . . . . 1.0 112.761 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.03 53.25 Favored Glycine 0 CA--C 1.54 1.604 0 N-CA-C 116.559 1.384 . . . . 1.0 116.559 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -141.46 21.19 2.21 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 119.168 1.484 . . . . 1.0 113.209 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -63.55 113.03 3.06 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.854 -1.154 . . . . 1.0 111.484 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -54.73 -31.13 57.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.19 1.396 . . . . 1.0 114.357 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.1 m -75.31 -6.24 48.88 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.71 1.004 . . . . 1.0 113.71 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -129.7 -17.82 3.57 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.693 1.597 . . . . 1.0 114.256 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.3 p -150.0 165.34 32.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.878 1.436 . . . . 1.0 114.878 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.7 t -139.75 90.6 10.98 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.359 1.864 . . . . 1.0 109.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.33 -19.02 50.26 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.484 2.122 . . . . 1.0 113.299 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.4 -22.14 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.831 1.252 . . . . 1.0 111.712 176.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.1 m -127.35 -8.35 5.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.015 1.726 . . . . 1.0 113.672 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.9 m120 57.21 56.79 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 129.085 2.954 . . . . 1.0 112.9 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 68.8 mtm -135.57 171.0 15.07 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.601 1.56 . . . . 1.0 112.456 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -127.56 159.45 34.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.595 1.558 . . . . 1.0 113.512 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -131.3 147.26 52.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.472 1.909 . . . . 1.0 112.398 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 p -78.26 -34.28 49.12 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.76 1.022 . . . . 1.0 113.76 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.2 m -145.52 158.56 50.25 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.94 1.296 . . . . 1.0 113.056 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -50.7 -40.85 55.81 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.106 3.204 . . . . 1.0 115.303 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.14 -37.34 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 1.0 111.704 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.47 -37.87 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.785 0.834 . . . . 1.0 110.754 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.43 84.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.88 0.472 . . . . 1.0 111.084 175.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.25 -43.4 98.94 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.811 -0.555 . . . . 1.0 111.648 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.7 m -60.92 -37.19 81.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 1.0 112.078 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -69.13 -47.76 64.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.723 -0.61 . . . . 1.0 111.053 175.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -57.6 -33.17 67.93 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.423 1.268 . . . . 1.0 114.423 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -84.61 -5.0 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 113.339 0.866 . . . . 1.0 113.339 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.25 150.73 23.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.668 1.127 . . . . 1.0 113.313 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -58.44 -31.57 67.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.7 m -58.52 -42.22 87.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.088 0.955 . . . . 1.0 111.367 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.03 -45.68 66.66 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.705 -0.622 . . . . 1.0 110.923 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.73 -39.08 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.404 1.082 . . . . 1.0 111.801 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.2 ttmt -59.39 -45.47 91.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.371 -0.831 . . . . 1.0 110.206 174.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -64.25 -34.0 77.11 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 117.809 -1.091 . . . . 1.0 112.686 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.74 -44.41 77.52 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.741 1.61 . . . . 1.0 111.116 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -70.0 -43.46 71.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.418 1.087 . . . . 1.0 111.932 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.72 -36.6 84.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.812 0.845 . . . . 1.0 112.513 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -85.59 -8.1 58.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.782 1.633 . . . . 1.0 113.305 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 53.57 42.63 31.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.508 1.923 . . . . 1.0 111.836 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 125.471 1.508 . . . . 1.0 111.121 -176.794 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.79 -23.81 1.2 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.843 2.057 . . . . 1.0 116.147 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.05 -16.28 62.59 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.376 1.25 . . . . 1.0 114.376 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -150.22 -30.81 0.21 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.533 1.679 . . . . 1.0 115.533 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.98 22.59 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.358 0.981 . . . . 1.0 113.719 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -50.79 127.73 19.1 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.574 1.15 . . . . 1.0 112.921 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.24 52.57 0.05 OUTLIER Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.735 1.159 . . . . 1.0 112.406 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.97 -21.07 63.15 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.981 1.475 . . . . 1.0 114.981 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 127.5 32.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.03 1.332 . . . . 1.0 113.386 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tt -78.45 100.58 6.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.26 1.424 . . . . 1.0 109.673 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -127.62 28.28 5.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.871 1.668 . . . . 1.0 111.861 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.79 141.6 85.01 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 125.686 1.594 . . . . 1.0 111.777 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.89 156.7 59.91 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.483 2.122 . . . . 1.0 110.316 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -137.32 115.7 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.236 1.014 . . . . 1.0 110.27 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 171.98 48.62 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.857 1.218 . . . . 1.0 115.281 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.71 -42.72 75.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.96 1.704 . . . . 1.0 113.553 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.15 -49.01 77.54 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.607 0.763 . . . . 1.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.36 96.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.955 0.502 . . . . 1.0 111.926 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.28 -42.94 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 119.032 -0.509 . . . . 1.0 110.91 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -62.16 -47.7 83.35 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.536 1.062 . . . . 1.0 110.919 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -58.14 -43.97 87.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.368 0.985 . . . . 1.0 111.746 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -58.97 -43.41 91.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.214 1.006 . . . . 1.0 111.878 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.38 -48.68 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.807 0.843 . . . . 1.0 110.627 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mmp_? -58.41 -44.08 88.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.313 1.045 . . . . 1.0 112.598 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.06 -15.16 60.64 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -131.62 39.42 3.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.853 1.261 . . . . 1.0 112.799 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -55.17 -17.82 4.87 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.102 1.519 . . . . 1.0 115.102 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -76.8 -15.5 59.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.955 1.702 . . . . 1.0 113.774 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.0 pt -134.5 -22.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.14 152.13 40.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.111 1.364 . . . . 1.0 109.875 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -153.99 172.21 17.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.038 0.935 . . . . 1.0 112.093 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.12 -21.21 61.28 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.177 1.177 . . . . 1.0 114.177 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 p -135.7 6.23 3.19 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.026 1.861 . . . . 1.0 116.026 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -161.73 144.94 12.22 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.447 1.476 . . . . 1.0 113.21 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -117.01 115.02 24.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.179 1.392 . . . . 1.0 108.807 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -77.14 -34.45 56.55 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.624 0.972 . . . . 1.0 113.624 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -58.25 -39.15 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.723 0.809 . . . . 1.0 111.161 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -100.64 5.13 43.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.021 1.328 . . . . 1.0 112.487 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t 36.47 56.55 1.1 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 128.636 2.774 . . . . 1.0 113.061 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.2 145.19 43.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.764 1.226 . . . . 1.0 112.97 -176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 t -90.47 148.75 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.69 1.196 . . . . 1.0 109.269 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -130.54 71.65 1.47 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.359 2.264 . . . . 1.0 108.479 -175.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.4 pt -66.53 2.08 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 116.052 1.871 . . . . 1.0 116.052 -174.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -147.97 148.58 30.91 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.638 1.575 . . . . 1.0 110.599 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.73 -34.95 73.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.707 -0.62 . . . . 1.0 111.69 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 m -63.67 -39.04 93.34 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.34 0.973 . . . . 1.0 111.631 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -64.83 -45.07 87.71 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.886 -0.509 . . . . 1.0 110.23 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -60.37 -47.46 85.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.458 0.703 . . . . 1.0 111.237 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.85 -43.27 99.18 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.334 1.054 . . . . 1.0 112.153 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.18 73.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.0 0.818 . . . . 1.0 112.306 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.01 -51.4 64.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.385 0.674 . . . . 1.0 112.278 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -66.93 -25.96 66.61 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -86.63 -14.61 42.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.087 0.858 . . . . 1.0 113.282 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -64.16 140.15 58.84 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.802 1.038 . . . . 1.0 113.802 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.74 -31.69 73.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.019 0.927 . . . . 1.0 111.286 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -63.39 -41.57 98.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.19 0.996 . . . . 1.0 111.23 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -63.7 -49.26 73.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.723 0.809 . . . . 1.0 109.872 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.34 81.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.785 0.661 . . . . 1.0 112.785 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.49 -45.18 92.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.573 -0.705 . . . . 1.0 111.306 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.6 -41.48 96.19 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.11 0.564 . . . . 1.0 111.614 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.13 -41.54 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.744 0.702 . . . . 1.0 110.87 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.33 -43.15 96.67 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.373 0.988 . . . . 1.0 111.184 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -65.05 -42.56 94.12 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.078 0.551 . . . . 1.0 111.481 176.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -63.79 -44.75 92.42 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.602 0.761 . . . . 1.0 111.638 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.54 -31.82 69.76 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.02 -1.05 . . . . 1.0 112.228 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.78 -3.79 30.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.652 1.181 . . . . 1.0 113.679 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.7 mt -119.28 -30.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.469 2.308 . . . . 1.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -50.96 146.94 5.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.57 2.348 . . . . 1.0 113.118 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -117.0 8.92 13.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.914 1.686 . . . . 1.0 113.437 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.94 52.54 1.67 Allowed Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.336 1.922 . . . . 1.0 114.491 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.51 -19.86 27.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.735 1.614 . . . . 1.0 114.474 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -73.27 -4.68 34.63 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.568 1.147 . . . . 1.0 113.549 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.0 m -121.75 20.68 10.92 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.934 1.694 . . . . 1.0 114.259 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -74.28 154.88 88.17 Favored Pre-proline 0 N--CA 1.482 1.172 0 O-C-N 121.13 -0.981 . . . . 1.0 113.036 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -58.34 -9.42 6.67 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 124.854 3.703 . . . . 1.0 117.725 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.58 45.23 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.848 2.059 . . . . 1.0 114.924 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -129.41 5.8 5.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.056 2.143 . . . . 1.0 113.278 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -140.59 130.1 24.04 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.016 2.126 . . . . 1.0 109.252 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -134.95 8.41 3.5 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.699 1.37 . . . . 1.0 114.699 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -144.68 147.32 32.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.255 1.822 . . . . 1.0 110.729 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.14 175.89 13.46 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.0 1.72 . . . . 1.0 111.562 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.26 98.25 Favored Pre-proline 0 CA--C 1.556 1.205 0 N-CA-C 116.258 1.948 . . . . 1.0 116.258 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.4 170.23 20.71 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 122.47 2.113 . . . . 1.0 112.96 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.57 17.53 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.498 1.519 . . . . 1.0 111.795 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.28 153.25 31.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.068 1.136 . . . . 1.0 114.068 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 56.3 mt -135.41 111.99 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.471 1.908 . . . . 1.0 107.415 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.3 p -69.76 -13.39 62.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.793 1.775 . . . . 1.0 115.793 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -140.28 56.26 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.424 1.49 . . . . 1.0 111.773 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.11 -176.98 35.7 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.853 1.216 . . . . 1.0 113.341 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.58 -24.59 14.23 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.271 1.428 . . . . 1.0 113.853 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.71 -28.02 60.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.71 1.204 . . . . 1.0 113.107 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -68.18 -24.1 64.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.769 0.827 . . . . 1.0 113.04 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -73.28 40.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.768 2.027 . . . . 1.0 113.883 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -134.56 -15.11 2.15 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.147 2.179 . . . . 1.0 113.651 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -146.64 144.95 29.86 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.906 1.282 . . . . 1.0 111.733 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 37.2 t -129.66 90.91 42.14 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.846 2.058 . . . . 1.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.62 -24.08 56.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.979 2.453 . . . . 1.0 113.024 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.67 -33.14 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.153 1.381 . . . . 1.0 111.226 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.0 m -114.85 -1.86 13.07 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.314 1.846 . . . . 1.0 114.344 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 50.39 57.57 6.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.77 2.828 . . . . 1.0 112.79 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.4 ptm -149.25 168.94 21.93 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.529 1.532 . . . . 1.0 112.774 -176.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 53.6 p -126.74 168.48 14.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.824 1.649 . . . . 1.0 112.774 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -131.09 147.0 52.56 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.151 1.38 . . . . 1.0 112.446 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 p -78.81 -19.85 51.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.562 1.145 . . . . 1.0 113.953 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -158.73 146.56 13.56 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.523 1.529 . . . . 1.0 111.513 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.6 -29.91 26.64 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.865 3.043 . . . . 1.0 114.647 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.83 -37.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.213 1.005 . . . . 1.0 111.236 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.4 t -72.97 -41.04 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.0 0.92 . . . . 1.0 109.871 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.93 67.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.709 0.804 . . . . 1.0 112.238 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.85 -41.61 98.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.529 -0.732 . . . . 1.0 112.009 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.8 m -59.76 -38.3 81.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.015 0.926 . . . . 1.0 111.945 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -68.24 -49.83 58.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.692 0.797 . . . . 1.0 110.859 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -58.94 -38.61 79.4 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.57 -8.81 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.63 162.24 23.26 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.834 1.206 . . . . 1.0 114.32 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -58.03 -30.37 66.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.64 1.176 . . . . 1.0 113.541 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.3 m -53.91 -44.45 70.57 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.916 1.286 . . . . 1.0 112.544 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.62 -45.13 65.8 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.019 0.528 . . . . 1.0 111.513 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.82 -34.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.04 1.336 . . . . 1.0 112.051 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.99 -38.4 73.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.277 1.031 . . . . 1.0 110.969 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.68 -34.2 46.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.789 -1.101 . . . . 1.0 111.752 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 -46.01 76.28 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.745 1.611 . . . . 1.0 110.021 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.77 -41.62 87.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.708 1.603 . . . . 1.0 112.354 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.34 -38.37 74.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.563 1.145 . . . . 1.0 112.545 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -73.2 -30.4 63.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.88 1.672 . . . . 1.0 113.56 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.98 16.44 20.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.411 1.485 . . . . 1.0 113.392 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 127.518 2.327 . . . . 1.0 114.246 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 115.686 1.736 . . . . 1.0 115.686 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.86 154.96 33.3 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.447 1.021 . . . . 1.0 111.418 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.59 -39.29 76.45 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.762 -1.211 . . . . 1.0 112.845 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -155.44 -1.71 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.613 1.708 . . . . 1.0 115.613 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -10.76 61.98 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 118.218 2.047 . . . . 1.0 118.218 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -149.29 166.9 27.55 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.658 2.229 . . . . 1.0 115.881 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.97 -179.35 42.91 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 128.768 3.08 . . . . 1.0 110.351 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -44.1 0.08 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.884 1.809 . . . . 1.0 115.884 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.3 172.14 8.73 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.4 tp -129.93 117.87 20.79 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.735 2.014 . . . . 1.0 108.922 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -138.97 74.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.195 1.798 . . . . 1.0 107.5 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -44.63 118.9 3.53 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 125.419 1.488 . . . . 1.0 113.274 -174.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 89.7 Cg_exo -48.92 166.86 0.14 Allowed 'Trans proline' 0 C--N 1.354 0.825 1 C-N-CA 126.568 4.845 . . . . 1.0 119.319 -175.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -144.16 19.77 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.693 1.997 . . . . 1.0 111.68 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 168.54 30.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.763 2.125 . . . . 1.0 112.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.83 -37.4 68.66 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.969 1.1 . . . . 1.0 113.969 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.85 -46.31 84.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.284 0.634 . . . . 1.0 111.684 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 119.066 -0.492 . . . . 1.0 111.935 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.1 -42.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.356 0.98 . . . . 1.0 110.279 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -58.47 -46.88 85.72 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.578 0.751 . . . . 1.0 111.153 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m -63.63 -38.67 91.99 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.147 0.579 . . . . 1.0 112.03 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.46 -44.95 95.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.782 0.833 . . . . 1.0 111.096 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.38 -43.28 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.902 0.881 . . . . 1.0 109.778 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -57.8 -47.6 82.12 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.226 0.921 . . . . 1.0 112.093 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -73.57 -14.18 61.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.57 1.148 . . . . 1.0 113.818 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -132.67 30.56 4.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.034 1.334 . . . . 1.0 112.445 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -54.49 -21.16 9.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.81 -12.21 60.13 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.591 1.956 . . . . 1.0 113.705 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.9 pt -138.37 -20.29 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.842 1.657 . . . . 1.0 114.963 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -119.85 153.13 36.25 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.954 1.701 . . . . 1.0 109.876 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -155.35 171.55 19.69 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.447 1.099 . . . . 1.0 112.159 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -59.67 -18.45 42.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.681 1.192 . . . . 1.0 114.075 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -133.81 1.72 3.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.116 1.895 . . . . 1.0 116.116 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -162.38 144.86 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.827 1.649 . . . . 1.0 113.714 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -117.13 114.7 24.07 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.298 1.439 . . . . 1.0 109.137 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -78.96 -27.54 43.52 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.1 -40.7 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.317 0.962 . . . . 1.0 110.966 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' SG ' ' HE3' ' A' ' 61' ' ' LYS . 62.0 m -99.38 6.4 46.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.34 1.456 . . . . 1.0 112.15 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 m 37.47 56.87 1.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.555 2.742 . . . . 1.0 113.467 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.96 145.27 43.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.278 1.031 . . . . 1.0 113.606 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.53 147.68 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.031 1.332 . . . . 1.0 109.13 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -125.69 73.11 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.868 2.067 . . . . 1.0 109.295 -174.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 pt -55.79 -14.32 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 116.873 2.175 . . . . 1.0 116.873 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -152.46 158.54 42.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.966 1.306 . . . . 1.0 111.127 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.99 -37.48 71.71 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.784 0.833 . . . . 1.0 112.441 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.5 p -59.94 -37.67 80.2 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 1.0 112.516 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.35 -44.99 67.0 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.393 0.677 . . . . 1.0 109.716 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.98 -47.44 85.12 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.64 0.776 . . . . 1.0 111.294 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.08 -54.76 42.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.043 0.937 . . . . 1.0 110.812 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.68 91.61 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.206 0.817 . . . . 1.0 113.206 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -66.49 -51.36 57.58 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.459 0.572 . . . . 1.0 112.206 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -69.5 -31.18 69.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.431 0.9 . . . . 1.0 113.431 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -73.86 -29.11 61.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.755 0.822 . . . . 1.0 112.411 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 t -57.49 138.83 54.68 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.546 1.684 . . . . 1.0 115.546 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -27.86 68.18 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.517 1.127 . . . . 1.0 111.726 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.97 -40.19 83.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.816 1.246 . . . . 1.0 111.207 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.35 -48.75 78.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.591 0.756 . . . . 1.0 108.97 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.93 76.02 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.579 0.585 . . . . 1.0 112.579 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -62.83 -47.18 84.51 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.391 -0.818 . . . . 1.0 111.182 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HE3' ' SG ' ' A' ' 39' ' ' CYS . 46.7 mtmt -62.6 -40.54 97.27 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.366 0.666 . . . . 1.0 111.353 176.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.92 -45.17 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.798 0.839 . . . . 1.0 111.45 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 -59.53 -43.09 93.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.371 0.987 . . . . 1.0 111.465 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -65.1 -46.56 80.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.895 0.878 . . . . 1.0 111.26 175.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.277 1.031 . . . . 1.0 112.477 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 mmt -57.81 -31.72 66.86 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 1.0 112.642 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.23 -1.18 39.54 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.727 1.211 . . . . 1.0 113.896 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.89 -29.21 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.45 1.9 . . . . 1.0 111.868 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -55.87 157.85 4.1 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.32 1.848 . . . . 1.0 113.786 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.62 140.11 36.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.929 1.692 . . . . 1.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.94 -36.63 0.46 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.177 1.37 . . . . 1.0 113.424 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.86 25.81 3.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.951 1.7 . . . . 1.0 111.944 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -139.83 44.73 1.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.811 1.645 . . . . 1.0 111.714 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.7 p -140.22 169.45 17.66 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.067 1.747 . . . . 1.0 112.158 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.34 151.84 70.2 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 125.328 1.451 . . . . 1.0 112.13 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.65 -0.72 10.91 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.032 3.155 . . . . 1.0 114.534 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.24 155.21 11.83 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.119 1.367 . . . . 1.0 114.174 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -132.82 26.29 4.32 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.855 1.662 . . . . 1.0 112.891 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.14 -37.86 88.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.846 1.658 . . . . 1.0 113.068 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -72.48 170.04 15.15 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.78 1.632 . . . . 1.0 113.676 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -61.11 165.4 4.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.231 1.413 . . . . 1.0 113.785 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.27 178.43 7.3 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.626 1.57 . . . . 1.0 112.21 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.39 162.38 45.23 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.704 1.602 . . . . 1.0 111.845 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -53.32 159.08 6.38 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.313 3.342 . . . . 1.0 115.537 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.17 29.78 2.22 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.33 1.852 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -128.34 168.59 15.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.322 2.249 . . . . 1.0 111.091 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.84 119.61 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.354 1.062 . . . . 1.0 110.715 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -139.37 15.23 2.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.606 1.562 . . . . 1.0 112.656 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.59 18.1 3.1 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.255 1.822 . . . . 1.0 114.171 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -158.44 161.73 31.91 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.162 0.887 . . . . 1.0 114.072 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -91.12 -4.58 56.09 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.117 1.367 . . . . 1.0 114.282 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.15 -19.02 2.58 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.376 1.87 . . . . 1.0 115.747 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.5 35.16 3.43 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.494 1.918 . . . . 1.0 112.76 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.0 p -107.98 -20.25 13.24 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -136.77 -7.33 1.89 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.846 1.425 . . . . 1.0 114.846 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.8 t -149.95 155.54 40.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 1.0 112.212 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.8 t -139.55 89.18 12.03 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 1.0 110.012 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.48 -25.97 76.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.348 2.699 . . . . 1.0 114.219 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.47 -26.06 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.922 1.289 . . . . 1.0 111.945 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 85.5 m -122.42 -9.92 8.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.023 1.729 . . . . 1.0 113.483 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 55.9 56.19 6.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.913 2.885 . . . . 1.0 112.501 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -135.93 166.55 23.07 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.887 1.675 . . . . 1.0 111.886 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -127.26 157.94 38.51 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.574 1.55 . . . . 1.0 113.069 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -131.45 147.46 52.55 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.635 1.974 . . . . 1.0 112.08 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -71.68 -39.17 70.42 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -142.28 158.14 61.7 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.296 1.439 . . . . 1.0 113.363 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -55.06 -36.88 93.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.902 3.068 . . . . 1.0 115.01 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.9 t -67.21 -32.98 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 119.543 1.065 . . . . 1.0 111.549 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.91 -40.84 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.499 -0.751 . . . . 1.0 109.349 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.93 -47.54 84.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.18 0.592 . . . . 1.0 110.99 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -59.36 -43.29 92.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.296 -0.877 . . . . 1.0 111.473 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.6 m -60.44 -36.73 78.9 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.091 0.956 . . . . 1.0 111.899 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -70.91 -50.35 35.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.064 0.546 . . . . 1.0 111.286 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -56.17 -36.07 67.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -85.53 -7.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.65 158.76 29.97 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.68 1.133 . . . . 1.0 114.271 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.16 -32.64 70.08 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.14 0.976 . . . . 1.0 113.596 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.0 m -56.29 -42.01 76.82 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.346 1.058 . . . . 1.0 111.883 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -68.33 -46.14 71.01 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.432 0.693 . . . . 1.0 111.118 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.89 -43.85 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.077 1.351 . . . . 1.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -60.5 -42.02 95.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.116 0.966 . . . . 1.0 110.973 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -63.62 -30.85 71.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 117.952 -1.023 . . . . 1.0 113.025 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.43 -43.22 79.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.422 1.465 . . . . 1.0 110.563 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.72 -42.04 91.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.477 1.111 . . . . 1.0 111.282 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.23 -39.2 93.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.375 0.67 . . . . 1.0 112.175 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -68.61 -38.97 81.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.704 0.684 . . . . 1.0 111.484 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.6 -39.9 84.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.989 0.916 . . . . 1.0 112.057 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.905 1.682 . . . . 1.0 110.417 179.592 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 113.936 1.087 . . . . 1.0 113.936 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.19 -16.86 59.76 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.385 1.074 . . . . 1.0 112.842 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -150.03 164.42 35.58 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.642 1.977 . . . . 1.0 111.404 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -144.53 -39.96 0.27 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.309 1.044 . . . . 1.0 113.398 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.33 29.09 0.16 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.177 1.37 . . . . 1.0 112.815 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.12 147.97 52.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.133 2.173 . . . . 1.0 112.886 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.76 168.92 29.68 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.655 1.121 . . . . 1.0 113.671 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.26 154.24 28.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.664 1.586 . . . . 1.0 111.844 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.63 143.96 32.71 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.084 0.954 . . . . 1.0 112.216 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' A' ' 13' ' ' LEU . 23.5 tp -156.6 148.65 23.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.743 1.617 . . . . 1.0 109.876 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -123.16 20.97 9.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.314 1.846 . . . . 1.0 112.661 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 9.1 mp -116.58 152.95 48.88 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 127.231 2.212 . . . . 1.0 110.209 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -70.64 155.38 63.13 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.863 2.375 . . . . 1.0 110.472 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.53 119.3 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.938 0.895 . . . . 1.0 111.107 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 162.58 38.41 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.498 1.523 . . . . 1.0 115.087 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -56.7 -35.73 68.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.36 1.464 . . . . 1.0 113.432 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.53 -47.05 80.27 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.687 0.795 . . . . 1.0 111.734 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.75 98.14 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.101 0.561 . . . . 1.0 111.334 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.04 -44.39 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.256 0.622 . . . . 1.0 110.912 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -60.15 -41.02 91.86 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.404 -0.81 . . . . 1.0 112.411 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -42.9 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.415 0.552 . . . . 1.0 111.278 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.82 -44.28 90.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.575 1.15 . . . . 1.0 112.137 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.45 -44.9 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.925 0.89 . . . . 1.0 110.305 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -65.47 -43.25 90.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.093 0.957 . . . . 1.0 113.362 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.27 -15.01 62.85 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.147 0.979 . . . . 1.0 113.563 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -134.28 38.02 3.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.09 1.356 . . . . 1.0 112.795 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -51.13 -27.49 8.61 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.57 1.322 . . . . 1.0 114.57 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -65.08 -20.05 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.813 1.645 . . . . 1.0 113.871 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.1 pt -131.3 -18.33 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.206 1.558 . . . . 1.0 115.206 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -124.29 151.6 44.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.559 1.144 . . . . 1.0 110.826 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -152.29 166.63 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.268 1.027 . . . . 1.0 111.301 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -52.93 -19.05 2.29 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.2 p -138.3 11.29 2.79 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -163.46 142.62 8.28 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.875 1.67 . . . . 1.0 114.262 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -117.51 118.03 31.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.737 1.615 . . . . 1.0 110.599 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -76.26 -40.05 52.85 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.773 1.027 . . . . 1.0 113.773 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -57.27 -38.13 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 1.0 111.803 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.29 4.13 43.92 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.595 1.158 . . . . 1.0 111.861 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 37.38 58.52 1.26 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.895 2.878 . . . . 1.0 113.229 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.14 148.27 46.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.726 1.21 . . . . 1.0 113.168 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -95.43 145.46 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.894 1.278 . . . . 1.0 108.811 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -123.7 75.03 1.31 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.309 2.244 . . . . 1.0 108.906 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 pt -65.36 1.79 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 127.141 2.176 . . . . 1.0 116.186 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -155.5 148.79 24.82 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.346 1.458 . . . . 1.0 110.575 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.84 -39.21 91.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.085 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 p -62.5 -37.87 87.71 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.05 1.295 . . . . 1.0 111.839 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -66.86 -42.48 85.59 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.978 0.911 . . . . 1.0 110.38 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -61.88 -47.8 83.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 1.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.656 0.782 . . . . 1.0 111.702 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -42.52 82.12 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.691 0.678 . . . . 1.0 111.929 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -63.93 -51.47 64.31 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.808 -0.557 . . . . 1.0 111.968 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -64.48 -18.97 65.27 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.278 1.214 . . . . 1.0 114.278 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -99.99 -8.06 24.36 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.546 1.138 . . . . 1.0 113.115 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.09 142.51 56.62 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.358 1.063 . . . . 1.0 113.785 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.79 -37.28 81.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.981 1.312 . . . . 1.0 111.594 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.92 -45.1 78.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.088 0.955 . . . . 1.0 110.944 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -59.81 -49.12 78.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.707 0.803 . . . . 1.0 110.719 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.66 85.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.028 0.531 . . . . 1.0 112.363 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.93 -47.22 81.36 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.621 -0.674 . . . . 1.0 111.926 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.72 -43.76 98.24 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.735 0.698 . . . . 1.0 111.483 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.94 -45.52 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.633 0.773 . . . . 1.0 112.38 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -60.89 -37.66 82.97 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.9 1.227 . . . . 1.0 111.664 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -67.16 -43.35 82.46 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.609 0.763 . . . . 1.0 111.28 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.52 -40.31 92.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 1.0 112.902 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.9 mmt -58.62 -27.94 65.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.014 0.926 . . . . 1.0 112.349 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.19 10.4 17.03 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.41 1.484 . . . . 1.0 112.942 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.0 mt -131.16 -46.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.255 1.822 . . . . 1.0 112.065 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -150.52 164.76 35.18 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.039 1.125 . . . . 1.0 114.039 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -155.14 176.54 12.42 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.242 2.217 . . . . 1.0 111.694 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.9 -173.06 32.14 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.46 1.029 . . . . 1.0 113.733 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.02 -39.81 0.07 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.94 1.089 . . . . 1.0 113.94 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.6 72.02 1.41 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.484 1.513 . . . . 1.0 114.179 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -154.94 -179.7 8.3 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.625 1.57 . . . . 1.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 10.4 p -130.23 130.89 23.12 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 126.103 1.761 . . . . 1.0 111.401 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 75' ' ' VAL . 23.4 Cg_exo -63.41 -36.78 53.29 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.515 2.81 . . . . 1.0 114.255 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.76 -179.92 5.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.771 1.628 . . . . 1.0 113.11 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -129.0 164.54 22.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.967 1.707 . . . . 1.0 109.967 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.506 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -142.51 40.74 1.58 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.585 1.154 . . . . 1.0 112.236 -179.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -56.14 160.01 3.12 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.919 1.288 . . . . 1.0 112.788 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -138.27 149.33 45.6 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.235 1.414 . . . . 1.0 112.499 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.83 177.44 11.39 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.34 1.856 . . . . 1.0 111.043 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.581 ' H ' ' HD2' ' A' ' 84' ' ' PRO . . . -137.46 -50.57 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 CA-C-O 117.356 -1.307 . . . . 1.0 114.386 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.581 ' HD2' ' H ' ' A' ' 83' ' ' ALA . 93.4 Cg_endo -74.1 154.96 47.47 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.114 1.791 . . . . 1.0 112.035 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -155.85 166.92 32.04 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.343 1.457 . . . . 1.0 111.663 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.01 3.17 24.01 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.28 1.032 . . . . 1.0 113.42 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.17 131.82 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.672 1.989 . . . . 1.0 108.313 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.1 m -127.32 12.99 7.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.159 1.384 . . . . 1.0 113.646 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -128.54 10.73 6.18 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.98 1.712 . . . . 1.0 112.433 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.8 -175.24 46.41 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.256 1.407 . . . . 1.0 113.444 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -142.35 38.17 1.54 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.198 1.799 . . . . 1.0 109.714 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -38.24 -46.69 1.1 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.562 2.745 . . . . 1.0 117.488 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -128.61 112.16 13.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.218 1.407 . . . . 1.0 109.373 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 p -160.47 -12.23 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.151 2.278 . . . . 1.0 117.151 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -131.76 -22.82 2.34 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.609 1.707 . . . . 1.0 115.609 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.59 170.2 19.72 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.244 1.018 . . . . 1.0 113.342 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 41.1 t -145.55 98.87 4.52 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.993 1.717 . . . . 1.0 109.136 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.72 -24.81 24.85 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 122.551 2.167 . . . . 1.0 113.352 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.75 -37.88 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.338 1.055 . . . . 1.0 110.935 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 -5.74 17.97 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.693 1.597 . . . . 1.0 113.722 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.0 t30 54.68 61.73 2.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 129.268 3.027 . . . . 1.0 113.514 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.4 mtm -138.61 168.04 20.65 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.008 1.323 . . . . 1.0 113.458 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.3 p -131.71 153.88 49.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.88 2.072 . . . . 1.0 110.997 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.089 1.356 . . . . 1.0 112.59 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.2 p -79.89 -15.57 57.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.882 1.438 . . . . 1.0 114.882 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.46 162.44 27.51 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 124.601 1.161 . . . . 1.0 112.142 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.09 -28.57 65.49 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.467 2.112 . . . . 1.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.88 -39.24 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.08 0.854 . . . . 1.0 110.11 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.19 -41.06 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.83 66.58 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.402 0.681 . . . . 1.0 111.176 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.458 0.703 . . . . 1.0 111.994 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.4 m -59.46 -35.98 75.11 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.984 0.811 . . . . 1.0 111.663 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -74.85 -50.58 16.55 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.476 -0.765 . . . . 1.0 111.433 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.94 -41.05 90.98 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.831 1.419 . . . . 1.0 114.831 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.72 -15.71 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.022 0.828 . . . . 1.0 113.23 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.24 154.83 43.22 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.747 0.689 . . . . 1.0 113.53 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -60.02 -26.8 66.37 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.717 0.807 . . . . 1.0 112.586 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -56.86 -43.17 80.93 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.463 1.505 . . . . 1.0 112.345 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.5 -42.43 78.62 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.538 -0.726 . . . . 1.0 110.842 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.77 -41.58 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.467 1.107 . . . . 1.0 111.43 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.93 -36.73 80.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.884 0.874 . . . . 1.0 111.511 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -67.86 -27.94 67.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 118.644 -0.693 . . . . 1.0 112.09 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.45 -52.24 66.05 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.224 1.374 . . . . 1.0 109.198 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -36.24 71.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.521 1.129 . . . . 1.0 112.289 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.29 -42.1 99.05 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.993 0.917 . . . . 1.0 111.941 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -77.93 -27.41 49.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.508 1.123 . . . . 1.0 113.284 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -74.92 51.04 0.48 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.681 1.992 . . . . 1.0 112.628 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 126.008 1.723 . . . . 1.0 111.565 -178.75 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 114.578 1.325 . . . . 1.0 114.578 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.35 -8.76 58.2 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.095 1.758 . . . . 1.0 113.91 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.29 133.05 55.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.944 1.297 . . . . 1.0 112.63 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -155.42 168.21 27.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.642 1.577 . . . . 1.0 110.806 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.7 170.1 42.87 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 1.0 113.618 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -147.62 163.27 37.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.604 1.162 . . . . 1.0 112.525 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.06 178.16 40.29 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.327 1.441 . . . . 1.0 112.758 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -151.77 166.47 31.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.937 1.295 . . . . 1.0 112.591 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.03 133.63 17.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.761 1.224 . . . . 1.0 110.985 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -154.49 123.95 6.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.904 1.681 . . . . 1.0 108.351 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -134.71 26.39 3.68 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.07 1.348 . . . . 1.0 111.933 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.8 mt -54.8 123.26 45.09 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.599 1.16 . . . . 1.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -76.71 178.77 7.18 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.416 3.411 . . . . 1.0 111.853 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.78 21.4 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.341 1.056 . . . . 1.0 113.712 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.44 167.88 31.46 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.34 1.448 . . . . 1.0 112.887 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -55.84 -40.2 72.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.801 1.037 . . . . 1.0 113.801 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.97 -44.19 91.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.569 0.622 . . . . 1.0 111.459 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.58 75.09 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.401 0.681 . . . . 1.0 111.714 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.34 -46.38 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.475 1.034 . . . . 1.0 110.622 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.25 -40.68 96.99 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.545 -0.722 . . . . 1.0 111.059 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -65.03 -44.13 90.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.246 0.618 . . . . 1.0 111.534 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.63 -42.56 97.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.174 1.39 . . . . 1.0 111.139 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.93 -49.19 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.246 1.018 . . . . 1.0 109.944 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -59.56 -45.97 90.26 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.924 0.89 . . . . 1.0 113.022 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.15 -16.38 63.63 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.671 1.188 . . . . 1.0 113.908 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -130.19 31.41 4.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.554 1.541 . . . . 1.0 111.677 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.32 -14.35 1.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.389 1.996 . . . . 1.0 116.389 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -81.82 -14.9 55.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.078 1.751 . . . . 1.0 113.533 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.6 pt -135.77 -21.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.666 1.586 . . . . 1.0 114.776 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -119.96 147.68 44.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.939 1.696 . . . . 1.0 108.849 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -151.61 168.52 24.71 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.961 0.904 . . . . 1.0 112.453 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.34 -19.69 62.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.277 1.431 . . . . 1.0 114.112 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.3 p -132.08 1.78 3.91 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.426 1.639 . . . . 1.0 115.426 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -162.49 147.07 12.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.018 1.281 . . . . 1.0 112.573 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.06 114.71 24.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -77.34 -33.56 55.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.59 -39.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.861 0.755 . . . . 1.0 110.996 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.91 -1.16 53.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.029 1.332 . . . . 1.0 112.654 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.4 m 40.42 55.53 2.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.817 2.447 . . . . 1.0 112.607 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.39 143.4 43.98 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.904 1.281 . . . . 1.0 112.631 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.8 t -87.97 146.36 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.752 1.221 . . . . 1.0 109.913 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.7 mt -120.02 73.93 1.0 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.148 2.179 . . . . 1.0 108.275 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 pt -52.37 -17.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 117.075 2.25 . . . . 1.0 117.075 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t -154.92 161.45 41.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.371 1.468 . . . . 1.0 110.469 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.3 -39.03 74.91 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.539 -0.726 . . . . 1.0 111.855 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -59.01 -42.86 91.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.626 1.103 . . . . 1.0 112.18 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.86 -41.9 95.31 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.372 1.069 . . . . 1.0 110.72 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -61.86 -47.62 84.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.91 0.884 . . . . 1.0 111.024 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.69 -42.43 98.92 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.54 1.136 . . . . 1.0 111.339 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.358 0.527 . . . . 1.0 112.323 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -61.64 -51.51 68.16 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.806 0.669 . . . . 1.0 112.806 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -65.68 -22.87 66.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.709 1.003 . . . . 1.0 113.709 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -92.38 -13.59 29.91 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.354 1.062 . . . . 1.0 113.495 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 144.31 53.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.379 1.072 . . . . 1.0 113.462 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -60.05 -28.08 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.481 1.112 . . . . 1.0 112.422 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.14 -38.95 84.65 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.611 1.164 . . . . 1.0 111.533 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -65.42 -44.99 85.65 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.837 0.855 . . . . 1.0 110.897 176.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.24 91.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.828 0.74 . . . . 1.0 112.156 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -61.21 -46.84 88.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.623 -0.673 . . . . 1.0 111.508 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -62.68 -42.95 99.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.917 0.887 . . . . 1.0 111.746 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.49 -44.25 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.258 -0.877 . . . . 1.0 110.67 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -57.93 -43.49 86.32 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.303 1.41 . . . . 1.0 111.701 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -60.55 -52.11 66.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.233 1.013 . . . . 1.0 110.919 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -61.94 -39.61 92.7 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.024 0.75 . . . . 1.0 113.024 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.3 mmt -66.27 -41.6 89.67 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.297 -0.877 . . . . 1.0 111.018 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.26 -24.27 53.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.77 1.228 . . . . 1.0 114.063 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.58 -39.41 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.359 1.063 . . . . 1.0 109.328 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -88.79 -57.92 2.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.306 1.042 . . . . 1.0 110.906 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -153.2 130.19 11.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.023 1.329 . . . . 1.0 111.049 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.88 -150.34 17.67 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.696 1.141 . . . . 1.0 112.5 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -116.11 130.78 56.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.366 1.466 . . . . 1.0 110.488 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -154.61 156.95 37.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.288 1.035 . . . . 1.0 111.638 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.7 m -75.0 -6.21 48.13 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.825 1.417 . . . . 1.0 114.825 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.83 96.81 14.4 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.071 1.348 . . . . 1.0 111.314 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -70.65 -14.06 32.96 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.936 2.424 . . . . 1.0 112.934 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.89 -3.36 15.54 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.328 1.451 . . . . 1.0 113.895 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -47.95 -11.31 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 128.663 2.785 . . . . 1.0 117.846 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -48.65 -29.31 4.23 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.3 2.24 . . . . 1.0 114.654 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -64.35 -14.79 58.36 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.17 1.174 . . . . 1.0 114.17 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -125.72 28.37 6.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.884 2.074 . . . . 1.0 111.859 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.76 178.25 7.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.028 1.731 . . . . 1.0 111.491 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.74 160.7 49.52 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.969 1.308 . . . . 1.0 112.322 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.32 160.39 6.72 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 124.353 3.369 . . . . 1.0 115.344 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.13 174.26 11.21 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.859 1.664 . . . . 1.0 111.656 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -136.42 162.94 31.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.369 1.468 . . . . 1.0 112.034 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.05 131.71 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.752 1.221 . . . . 1.0 110.503 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.5 t -56.74 -31.23 64.35 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.356 1.613 . . . . 1.0 115.356 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.55 6.66 5.23 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.288 1.218 . . . . 1.0 114.288 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.15 33.35 64.56 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.619 1.104 . . . . 1.0 115.434 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.41 32.1 3.39 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.778 1.231 . . . . 1.0 112.969 -176.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.16 131.77 48.43 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.804 -1.185 . . . . 1.0 111.697 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.53 -8.71 16.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.426 1.491 . . . . 1.0 113.892 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.1 m -75.58 58.3 1.04 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.729 2.012 . . . . 1.0 111.213 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -137.16 -18.91 1.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.087 1.755 . . . . 1.0 114.777 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 42.2 t -143.67 158.85 43.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.287 1.435 . . . . 1.0 111.932 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.7 t -141.59 88.4 9.73 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 125.385 1.474 . . . . 1.0 110.636 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.35 -27.58 85.36 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.574 2.849 . . . . 1.0 114.255 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.8 t -59.02 -33.92 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.656 1.182 . . . . 1.0 111.45 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.5 m -112.18 -8.71 13.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.463 1.505 . . . . 1.0 113.507 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.78 56.84 5.14 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 128.853 2.861 . . . . 1.0 112.319 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.7 mtm -136.92 167.57 21.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.494 1.518 . . . . 1.0 112.47 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -131.68 162.39 30.54 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.237 1.815 . . . . 1.0 110.971 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.14 146.83 52.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.338 1.055 . . . . 1.0 112.641 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -81.41 -11.71 59.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.156 1.382 . . . . 1.0 114.315 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 t -154.09 146.19 17.16 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 125.374 1.47 . . . . 1.0 111.471 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.6 -23.6 70.16 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.771 2.314 . . . . 1.0 112.504 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.29 -38.43 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.836 0.854 . . . . 1.0 110.37 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.04 -42.98 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.772 0.829 . . . . 1.0 109.786 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.34 59.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.068 0.947 . . . . 1.0 112.538 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -39.54 90.64 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.544 -0.723 . . . . 1.0 112.502 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.4 m -64.36 -40.12 95.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.683 0.793 . . . . 1.0 111.504 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.78 -47.89 81.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.477 0.711 . . . . 1.0 111.832 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.72 -16.17 5.91 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.36 2.78 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.209 1.404 . . . . 1.0 113.226 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.62 158.13 26.02 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.735 1.16 . . . . 1.0 112.897 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.62 -30.03 69.59 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 1.0 113.889 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.4 m -56.65 -40.85 76.18 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.055 0.942 . . . . 1.0 111.494 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -70.08 -44.2 69.59 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.751 0.82 . . . . 1.0 110.725 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.84 -40.17 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.842 1.257 . . . . 1.0 112.052 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.77 -34.61 73.22 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.158 -0.964 . . . . 1.0 111.339 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -75.06 -28.5 60.39 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 118.54 -0.743 . . . . 1.0 111.932 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.01 -43.7 86.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.986 1.266 . . . . 1.0 109.272 172.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -57.04 -30.35 64.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.515 1.126 . . . . 1.0 113.171 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.22 -26.99 65.34 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.204 0.911 . . . . 1.0 112.501 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -95.35 -41.6 8.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.354 1.461 . . . . 1.0 111.487 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -72.63 -20.83 61.2 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.212 1.189 . . . . 1.0 114.212 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.75 1.62 . . . . 1.0 110.632 -178.476 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -137.11 6.43 2.84 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.906 1.283 . . . . 1.0 113.542 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.94 -7.85 56.32 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.807 1.41 . . . . 1.0 114.807 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -74.61 155.3 37.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.773 1.229 . . . . 1.0 112.777 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.32 162.72 35.43 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.271 1.415 . . . . 1.0 112.76 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -158.22 175.58 13.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.93 1.692 . . . . 1.0 111.464 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 37.64 31.66 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.607 0.622 . . . . 1.0 113.58 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -136.69 170.09 16.64 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.101 1.76 . . . . 1.0 113.002 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.45 172.52 12.83 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.609 1.564 . . . . 1.0 112.177 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 tp -152.41 149.39 28.55 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.097 1.759 . . . . 1.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -75.25 9.47 2.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.074 1.75 . . . . 1.0 113.879 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -138.4 157.67 72.01 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 129.448 3.099 . . . . 1.0 108.295 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -61.09 146.04 98.15 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 121.692 1.595 . . . . 1.0 110.573 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p -143.97 27.81 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 122.447 1.118 . . . . 1.0 112.863 -176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.93 168.48 41.19 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.849 1.214 . . . . 1.0 113.248 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -59.41 -43.71 92.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.296 1.038 . . . . 1.0 112.331 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.07 -40.66 91.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.688 1.195 . . . . 1.0 112.225 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.85 92.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.76 0.424 . . . . 1.0 111.362 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.34 -43.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.351 0.523 . . . . 1.0 110.835 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.81 -46.29 87.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.576 -0.702 . . . . 1.0 111.429 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -65.39 -40.44 93.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.448 0.699 . . . . 1.0 111.808 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.63 -41.4 97.43 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.217 -0.927 . . . . 1.0 111.797 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.93 -44.72 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.966 0.906 . . . . 1.0 109.619 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -59.44 -42.46 91.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.939 1.295 . . . . 1.0 112.469 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.23 -18.52 61.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.464 1.105 . . . . 1.0 113.626 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -133.67 35.62 3.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.842 1.257 . . . . 1.0 113.377 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -57.42 -13.43 3.51 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.467 1.654 . . . . 1.0 115.467 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -78.37 -19.27 53.73 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.527 1.531 . . . . 1.0 113.175 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.1 pt -131.24 -19.81 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.59 1.556 . . . . 1.0 114.914 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -120.82 151.38 39.68 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.457 1.503 . . . . 1.0 109.189 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -155.27 170.88 20.84 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.057 0.943 . . . . 1.0 112.073 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.58 -19.09 56.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.695 1.198 . . . . 1.0 114.146 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 p -134.67 2.16 3.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.07 145.98 12.22 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.782 1.628 . . . . 1.0 113.566 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.24 116.09 26.57 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.362 1.465 . . . . 1.0 109.201 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.96 -36.54 64.6 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.22 -40.82 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.763 0.825 . . . . 1.0 111.347 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -100.26 4.81 44.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.154 1.382 . . . . 1.0 112.395 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t 36.3 55.54 1.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.805 2.842 . . . . 1.0 112.995 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.04 145.12 43.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.808 1.243 . . . . 1.0 113.137 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.3 t -87.85 147.79 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.002 1.321 . . . . 1.0 109.611 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.15 75.96 1.27 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.46 2.304 . . . . 1.0 108.766 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 pt -54.52 -16.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 117.092 2.256 . . . . 1.0 117.092 -174.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 t -154.84 159.9 40.87 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.083 1.353 . . . . 1.0 110.925 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.13 -36.83 73.52 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.848 0.859 . . . . 1.0 112.58 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 p -61.97 -40.78 96.77 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.454 1.024 . . . . 1.0 111.907 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.84 -42.39 81.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 1.0 110.485 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -59.86 -47.59 85.12 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.728 0.695 . . . . 1.0 110.925 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.9 -51.52 68.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.42 1.088 . . . . 1.0 110.878 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.18 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.8 0.666 . . . . 1.0 112.8 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -67.45 -51.43 51.64 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.784 -0.573 . . . . 1.0 112.131 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -67.34 -27.47 67.16 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.607 0.965 . . . . 1.0 113.607 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.54 -9.3 56.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.797 0.839 . . . . 1.0 113.138 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 139.66 58.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.896 1.072 . . . . 1.0 113.896 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.81 -31.63 72.87 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.6 1.16 . . . . 1.0 111.647 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.95 -45.09 78.84 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.476 1.111 . . . . 1.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.99 -49.22 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.66 0.784 . . . . 1.0 110.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.61 86.55 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.308 0.485 . . . . 1.0 112.308 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -64.4 -39.74 94.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.667 -0.646 . . . . 1.0 112.549 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -69.33 -41.75 76.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.1 0.864 . . . . 1.0 111.276 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.99 -41.84 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.216 1.007 . . . . 1.0 111.144 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -56.77 -43.46 80.83 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.627 1.103 . . . . 1.0 111.967 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.38 -46.79 72.26 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.185 0.994 . . . . 1.0 111.454 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.51 -44.95 85.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 1.0 111.675 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.9 mmt -61.31 -41.59 97.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.537 1.135 . . . . 1.0 111.676 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.09 92.65 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.497 0.719 . . . . 1.0 111.807 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.3 mt -66.47 -41.39 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.298 1.039 . . . . 1.0 110.361 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -78.43 4.32 13.45 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.912 1.685 . . . . 1.0 114.223 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.68 77.13 0.84 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.546 1.538 . . . . 1.0 112.745 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.1 173.67 40.13 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.748 1.642 . . . . 1.0 112.829 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.28 15.02 1.66 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.259 1.207 . . . . 1.0 114.259 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -145.78 158.97 43.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.991 1.316 . . . . 1.0 113.313 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -141.92 13.3 2.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.72 1.608 . . . . 1.0 112.933 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.42 155.59 60.82 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.988 2.115 . . . . 1.0 110.802 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.04 -21.38 36.9 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.804 2.336 . . . . 1.0 114.23 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.75 158.19 26.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.896 1.279 . . . . 1.0 112.551 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -126.78 -13.46 5.84 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -153.87 154.48 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.2 1.8 . . . . 1.0 110.385 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -133.53 31.4 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.116 1.366 . . . . 1.0 113.277 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -57.94 153.75 13.67 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.9 1.28 . . . . 1.0 113.308 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.29 27.21 1.42 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 1.0 113.749 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.11 143.13 79.23 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 124.059 0.944 . . . . 1.0 112.988 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.24 157.8 49.64 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.577 2.851 . . . . 1.0 113.428 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.39 16.71 1.16 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.245 1.418 . . . . 1.0 113.381 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.25 155.29 40.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.689 1.196 . . . . 1.0 113.535 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.2 mm -68.98 138.97 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.351 1.06 . . . . 1.0 110.274 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 t -63.39 144.79 56.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.248 1.019 . . . . 1.0 113.215 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.69 -6.96 8.97 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.103 1.361 . . . . 1.0 113.242 173.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.6 6.76 36.01 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.865 2.174 . . . . 1.0 113.006 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -130.39 -28.77 2.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.852 1.261 . . . . 1.0 113.838 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.4 -19.67 62.23 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.682 1.128 . . . . 1.0 113.819 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -62.82 -0.75 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.218 2.207 . . . . 1.0 116.226 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.3 p -133.85 16.22 3.91 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.572 1.949 . . . . 1.0 112.055 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -118.35 -20.03 8.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.9 1.68 . . . . 1.0 113.4 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 p -137.54 166.24 24.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.5 1.52 . . . . 1.0 113.464 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -146.06 89.66 5.98 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 125.845 1.658 . . . . 1.0 110.038 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -68.26 -20.96 42.39 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.766 2.311 . . . . 1.0 113.18 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -29.09 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.591 1.556 . . . . 1.0 111.596 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.8 m -123.75 -6.7 7.97 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.395 1.878 . . . . 1.0 114.348 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.7 t30 56.6 57.44 4.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.844 2.858 . . . . 1.0 112.778 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.1 mtm -138.04 171.26 14.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.542 1.537 . . . . 1.0 112.757 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 p -131.95 163.89 27.35 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.254 1.822 . . . . 1.0 112.173 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -131.21 147.18 52.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.738 1.215 . . . . 1.0 113.164 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.9 p -79.19 -16.69 56.2 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.104 1.362 . . . . 1.0 114.453 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 t -155.75 145.15 15.24 Favored Pre-proline 0 N--CA 1.471 0.602 0 C-N-CA 125.225 1.41 . . . . 1.0 111.517 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.35 -34.58 50.7 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.676 2.918 . . . . 1.0 114.376 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.94 -38.1 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.587 -0.695 . . . . 1.0 111.279 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.62 -39.81 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.627 0.771 . . . . 1.0 109.872 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.81 79.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.318 0.647 . . . . 1.0 111.095 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.7 -43.14 89.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.016 0.526 . . . . 1.0 111.96 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.0 m -65.17 -39.53 93.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.296 0.638 . . . . 1.0 111.885 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -63.63 -47.87 79.6 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.573 -0.704 . . . . 1.0 111.746 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.11 -15.01 4.53 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.49 1.92 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.094 1.358 . . . . 1.0 113.415 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -88.68 153.61 24.12 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.522 1.058 . . . . 1.0 112.508 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -58.01 -29.66 65.47 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.625 1.343 . . . . 1.0 114.625 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.5 m -58.75 -44.13 90.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.822 0.849 . . . . 1.0 110.845 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -70.48 -43.58 69.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.787 0.835 . . . . 1.0 111.52 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.6 -37.73 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.675 1.19 . . . . 1.0 111.817 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -57.84 -43.52 85.91 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.578 -0.702 . . . . 1.0 110.132 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.06 -31.39 67.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 117.666 -1.159 . . . . 1.0 112.845 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.31 -42.46 73.73 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.909 1.686 . . . . 1.0 110.262 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -64.83 -45.11 87.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.195 1.398 . . . . 1.0 111.651 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.47 -35.46 80.53 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.787 0.835 . . . . 1.0 112.509 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -81.58 -8.4 59.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.329 1.452 . . . . 1.0 112.768 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 54.17 33.19 17.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.292 2.237 . . . . 1.0 112.785 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 126.018 1.727 . . . . 1.0 111.187 -176.182 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 121.024 0.44 . . . . 1.0 111.891 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -151.04 159.4 44.56 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.271 1.428 . . . . 1.0 111.582 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.38 6.09 1.1 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.418 1.887 . . . . 1.0 113.554 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.26 160.72 30.74 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.303 1.041 . . . . 1.0 112.734 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.66 172.85 43.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.696 1.617 . . . . 1.0 112.57 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -61.22 145.41 51.31 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.761 0.825 . . . . 1.0 113.093 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.07 18.27 0.33 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.382 1.944 . . . . 1.0 113.399 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.85 132.07 48.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.993 1.317 . . . . 1.0 112.298 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.04 166.12 34.42 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.046 1.338 . . . . 1.0 112.364 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 tp -155.09 138.41 15.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.071 1.748 . . . . 1.0 109.776 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.09 52.75 1.29 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.897 1.679 . . . . 1.0 110.979 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -56.21 149.82 34.63 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 114.807 1.41 . . . . 1.0 114.807 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.77 156.72 18.02 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.192 3.262 . . . . 1.0 115.098 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -142.2 21.66 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.089 1.356 . . . . 1.0 112.496 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.43 165.74 30.72 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 126.08 1.8 . . . . 1.0 112.346 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -55.95 -37.03 68.45 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.935 1.087 . . . . 1.0 113.935 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.05 -44.64 91.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.744 0.702 . . . . 1.0 111.861 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.85 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 1.0 111.591 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.39 -46.28 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.989 0.813 . . . . 1.0 110.766 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -61.22 -44.42 97.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.377 0.671 . . . . 1.0 111.038 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -65.96 -39.33 90.33 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.651 0.66 . . . . 1.0 112.423 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.51 -43.09 97.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.239 0.927 . . . . 1.0 110.786 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.86 -50.11 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.372 1.069 . . . . 1.0 110.067 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.794 1.637 . . . . 1.0 113.111 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -74.91 -15.72 60.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.679 1.192 . . . . 1.0 113.757 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -134.41 41.98 2.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.916 1.287 . . . . 1.0 112.806 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.3 p -54.69 -18.85 5.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.186 1.55 . . . . 1.0 115.186 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -75.02 -20.31 59.67 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 1.0 113.821 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.7 pt -130.09 -16.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 115.024 1.49 . . . . 1.0 115.024 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -129.84 148.91 51.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.081 1.352 . . . . 1.0 110.64 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 p -149.71 170.12 19.45 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.941 1.297 . . . . 1.0 110.671 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.61 -10.28 25.34 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.179 0.807 . . . . 1.0 113.179 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.0 p -131.71 -1.86 3.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 115.637 1.718 . . . . 1.0 115.637 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -161.97 146.43 12.64 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.831 1.651 . . . . 1.0 113.604 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -117.43 114.87 24.14 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.075 1.35 . . . . 1.0 108.809 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -74.79 -36.28 62.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.397 0.888 . . . . 1.0 113.397 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.45 -37.03 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 123.786 0.834 . . . . 1.0 111.478 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -104.0 8.18 36.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.532 1.533 . . . . 1.0 112.317 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 33.75 55.76 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.961 2.904 . . . . 1.0 114.018 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.08 144.36 43.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.604 1.162 . . . . 1.0 113.161 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.02 148.57 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.111 1.364 . . . . 1.0 109.674 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.67 74.86 1.51 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.551 2.34 . . . . 1.0 108.923 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -15.1 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 117.17 2.285 . . . . 1.0 117.17 -174.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 m -155.66 158.12 37.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.472 1.509 . . . . 1.0 111.212 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -56.75 -36.31 69.62 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.181 0.992 . . . . 1.0 113.124 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 p -61.74 -41.15 97.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.015 1.28 . . . . 1.0 112.212 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -68.53 -40.06 80.92 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.564 -0.71 . . . . 1.0 110.402 174.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.76 -47.77 84.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.623 0.647 . . . . 1.0 110.563 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.19 -41.7 97.28 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.305 1.042 . . . . 1.0 111.892 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.77 74.49 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.606 0.639 . . . . 1.0 112.0 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.74 -51.37 62.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.196 0.598 . . . . 1.0 112.199 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.85 -18.75 65.55 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.191 1.182 . . . . 1.0 114.191 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -98.28 -11.9 22.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.28 1.032 . . . . 1.0 112.85 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 t -59.82 136.54 58.03 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.039 0.936 . . . . 1.0 111.977 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -63.97 -29.97 71.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.356 0.663 . . . . 1.0 112.217 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.83 -45.53 74.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.076 0.95 . . . . 1.0 110.254 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -61.98 -49.21 76.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.012 0.925 . . . . 1.0 110.273 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.43 -48.33 79.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.925 0.89 . . . . 1.0 112.304 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.72 -45.48 89.78 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.778 -0.576 . . . . 1.0 111.583 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.07 -43.69 91.8 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.519 0.728 . . . . 1.0 111.888 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.45 -45.21 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.625 0.77 . . . . 1.0 110.826 176.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -43.24 89.87 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.111 0.869 . . . . 1.0 111.742 175.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -66.94 -44.24 81.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.356 1.063 . . . . 1.0 111.626 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -63.05 -44.81 94.81 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.293 1.437 . . . . 1.0 111.827 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.1 mmt -58.95 -41.28 87.07 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.867 0.867 . . . . 1.0 111.582 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.64 81.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.193 0.597 . . . . 1.0 112.404 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.77 -38.92 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.559 1.144 . . . . 1.0 111.114 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.11 -28.96 70.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.493 1.517 . . . . 1.0 113.879 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.57 127.98 33.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.836 0.855 . . . . 1.0 110.97 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 169.35 -164.55 38.1 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.759 0.695 . . . . 1.0 114.225 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -71.96 77.79 0.91 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.974 1.71 . . . . 1.0 112.34 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -57.52 -28.97 63.96 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.91 1.684 . . . . 1.0 114.194 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.4 m -143.29 166.46 24.66 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.437 1.895 . . . . 1.0 110.9 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.5 m -136.67 152.6 74.8 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.185 1.394 . . . . 1.0 112.127 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.77 -6.68 17.8 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.727 2.951 . . . . 1.0 114.381 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.42 167.85 5.07 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.368 1.467 . . . . 1.0 113.668 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.34 -32.58 72.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.93 1.292 . . . . 1.0 113.857 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -67.61 168.75 10.56 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.324 1.45 . . . . 1.0 113.077 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -142.46 174.63 10.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.726 1.21 . . . . 1.0 112.397 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.44 153.53 7.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.95 2.1 . . . . 1.0 113.453 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.87 173.32 7.53 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.764 1.225 . . . . 1.0 112.62 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.28 151.97 62.96 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.311 1.445 . . . . 1.0 111.581 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.93 163.17 39.67 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.387 2.725 . . . . 1.0 113.223 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.17 16.97 2.99 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.504 1.522 . . . . 1.0 113.06 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -75.1 -0.76 20.2 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.052 1.341 . . . . 1.0 114.367 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.08 128.78 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 1.0 108.061 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.2 p -60.53 -37.39 81.04 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.867 1.062 . . . . 1.0 113.867 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.34 -41.64 72.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.514 1.126 . . . . 1.0 112.404 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.34 -7.14 39.97 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.97 1.548 . . . . 1.0 116.97 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -132.4 5.99 4.1 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.915 1.858 . . . . 1.0 113.686 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.93 -19.85 2.0 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.999 2.52 . . . . 1.0 116.49 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -147.26 159.38 43.72 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 127.995 2.518 . . . . 1.0 108.097 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 m 70.91 -5.6 1.46 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.518 2.327 . . . . 1.0 114.607 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -136.39 -21.55 1.35 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.519 1.927 . . . . 1.0 113.238 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.6 p -149.3 172.42 14.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.199 . . . . 1.0 112.152 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.1 t -145.39 93.84 5.31 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 125.229 1.411 . . . . 1.0 110.036 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.45 -22.03 45.87 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.529 2.153 . . . . 1.0 113.439 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.0 -31.45 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.381 1.073 . . . . 1.0 111.255 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.2 m -112.33 -10.22 13.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.976 1.71 . . . . 1.0 113.561 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.3 t30 57.18 58.3 4.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.712 2.805 . . . . 1.0 112.545 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.4 mtm -136.87 168.07 20.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.346 1.458 . . . . 1.0 113.066 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.5 p -130.96 156.4 45.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.637 1.975 . . . . 1.0 111.435 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.31 147.07 52.54 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.94 1.296 . . . . 1.0 112.541 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 p -77.59 -17.37 57.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.525 1.306 . . . . 1.0 114.525 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -159.29 148.47 14.43 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.026 1.33 . . . . 1.0 112.13 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.54 -30.73 36.88 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.583 2.855 . . . . 1.0 113.827 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -39.14 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.275 1.03 . . . . 1.0 111.054 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.64 -41.19 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.007 0.923 . . . . 1.0 109.679 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.22 -50.93 71.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.588 0.755 . . . . 1.0 112.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.95 -40.74 98.57 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.337 -0.852 . . . . 1.0 112.072 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.7 m -59.94 -37.85 80.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.689 0.796 . . . . 1.0 111.357 176.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -68.56 -49.77 56.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.294 0.638 . . . . 1.0 110.945 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -55.01 -35.69 64.66 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.731 1.011 . . . . 1.0 113.731 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.82 -5.77 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 113.849 1.055 . . . . 1.0 113.849 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.38 159.34 27.23 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.588 1.089 . . . . 1.0 113.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -61.99 -24.94 67.34 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.182 1.178 . . . . 1.0 114.182 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -58.17 -41.13 83.2 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.11 0.868 . . . . 1.0 110.971 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -70.11 -46.15 65.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.283 0.633 . . . . 1.0 110.91 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.74 -39.34 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.077 1.351 . . . . 1.0 112.271 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -57.91 -39.97 79.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.821 0.849 . . . . 1.0 110.729 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -74.3 -31.03 62.34 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.308 -0.853 . . . . 1.0 112.225 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.4 -49.2 78.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.336 1.425 . . . . 1.0 109.175 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -59.57 -39.99 85.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.45 1.1 . . . . 1.0 111.888 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.12 -13.53 48.5 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.519 1.528 . . . . 1.0 113.837 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.03 -33.05 7.01 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.527 1.531 . . . . 1.0 111.33 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.93 -37.19 83.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 1.0 111.723 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 C--O 1.24 0.601 0 C-N-CA 125.695 1.598 . . . . 1.0 111.999 -176.259 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.387 0.884 . . . . 1.0 113.387 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -74.33 43.58 0.18 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.537 1.935 . . . . 1.0 113.652 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.43 -45.37 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 1.0 112.139 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -155.94 154.5 31.26 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.826 1.25 . . . . 1.0 112.017 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.06 172.38 43.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.236 1.398 . . . . 1.0 112.941 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -140.89 13.14 2.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.713 1.205 . . . . 1.0 114.177 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 171.49 44.56 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.913 1.244 . . . . 1.0 114.565 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -143.06 9.24 1.69 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.458 1.503 . . . . 1.0 114.281 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.17 9.56 1.96 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 115.466 1.654 . . . . 1.0 115.466 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -143.28 118.21 9.99 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.268 1.427 . . . . 1.0 111.445 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.51 62.44 6.17 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.097 1.359 . . . . 1.0 112.191 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -136.2 142.95 41.8 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.169 0.988 . . . . 1.0 113.588 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.88 171.12 15.85 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.96 3.773 . . . . 1.0 111.431 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -139.32 110.61 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.216 1.406 . . . . 1.0 109.611 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.04 170.29 46.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.726 1.155 . . . . 1.0 114.588 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -55.9 -43.37 77.2 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.32 -47.07 84.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.023 0.929 . . . . 1.0 112.32 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.12 78.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 122.048 -0.407 . . . . 1.0 111.807 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.27 -46.15 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.881 0.764 . . . . 1.0 110.674 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.33 -40.95 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.428 -0.795 . . . . 1.0 111.215 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -65.05 -44.14 90.03 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.177 0.591 . . . . 1.0 111.389 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.73 -42.18 96.8 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.908 1.283 . . . . 1.0 111.332 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.3 -50.2 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 124.266 1.026 . . . . 1.0 109.751 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -61.53 -41.63 97.63 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.52 0.933 . . . . 1.0 113.52 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.78 -14.83 62.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.13 0.972 . . . . 1.0 113.444 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.1 38.0 3.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.293 1.437 . . . . 1.0 112.113 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.7 p -52.7 -20.54 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -74.4 -19.79 60.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.781 1.632 . . . . 1.0 113.792 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 pt -132.61 -18.5 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.258 1.577 . . . . 1.0 115.258 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -125.62 142.76 51.34 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.133 1.373 . . . . 1.0 109.575 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 p -147.75 171.99 14.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.918 1.287 . . . . 1.0 110.946 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.06 -10.82 33.12 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.4 p -131.89 -3.02 3.64 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.629 1.714 . . . . 1.0 115.629 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -160.84 145.8 14.19 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.877 1.671 . . . . 1.0 113.877 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.53 114.33 23.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.029 1.332 . . . . 1.0 108.491 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -76.9 -33.49 57.79 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.495 0.924 . . . . 1.0 113.495 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.62 -29.86 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.079 0.952 . . . . 1.0 111.407 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -112.58 8.53 19.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.122 1.769 . . . . 1.0 112.584 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m 35.13 54.49 0.75 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.67 2.788 . . . . 1.0 113.681 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.02 145.07 43.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.485 1.114 . . . . 1.0 113.584 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -87.96 147.6 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.144 1.378 . . . . 1.0 109.546 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.9 mt -121.33 76.91 1.28 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.365 2.266 . . . . 1.0 108.724 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 pt -53.02 -17.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 117.246 2.313 . . . . 1.0 117.246 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.1 t -156.88 162.49 39.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.311 1.445 . . . . 1.0 110.616 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -58.35 -35.84 72.55 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.419 -0.801 . . . . 1.0 111.896 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.5 p -60.79 -43.06 98.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.217 . . . . 1.0 111.909 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -65.41 -42.27 92.72 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.347 1.059 . . . . 1.0 110.755 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -61.11 -47.81 84.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.49 0.716 . . . . 1.0 110.797 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.07 -42.18 98.93 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.693 1.197 . . . . 1.0 111.654 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -43.29 71.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.524 0.602 . . . . 1.0 112.069 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -63.86 -51.43 64.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.938 0.79 . . . . 1.0 111.659 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -64.14 -17.84 63.86 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.238 1.199 . . . . 1.0 114.238 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -105.5 -2.62 23.42 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.899 1.279 . . . . 1.0 113.161 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.8 t -72.85 142.08 47.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.518 1.127 . . . . 1.0 113.795 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.179 -0.95 . . . . 1.0 112.036 174.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.99 -35.78 77.09 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.701 1.2 . . . . 1.0 111.207 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -70.27 -40.63 74.22 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 1.0 109.736 173.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.26 82.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.945 0.72 . . . . 1.0 112.945 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -62.66 -32.16 73.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.245 -0.909 . . . . 1.0 112.602 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -74.5 -38.98 62.69 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.678 -0.639 . . . . 1.0 111.127 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.02 -36.33 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.592 0.757 . . . . 1.0 110.628 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -56.81 -36.97 70.53 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.518 1.054 . . . . 1.0 111.663 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -63.27 -49.07 75.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.602 0.761 . . . . 1.0 110.469 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.45 -42.67 99.12 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.414 1.086 . . . . 1.0 111.8 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.5 mmt -64.76 -47.53 77.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.255 1.022 . . . . 1.0 111.904 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.16 -28.99 43.75 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.424 1.268 . . . . 1.0 114.424 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.69 -20.65 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.001 1.32 . . . . 1.0 112.021 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 -10.24 7.49 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.21 1.404 . . . . 1.0 113.725 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.59 146.78 53.07 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.764 1.625 . . . . 1.0 111.805 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.36 -169.21 37.53 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.953 0.787 . . . . 1.0 114.213 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.82 174.22 11.18 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.089 1.755 . . . . 1.0 111.818 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -145.98 165.41 29.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 1.0 112.379 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -149.35 177.33 9.77 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.663 1.585 . . . . 1.0 112.133 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.0 133.29 10.18 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.399 1.479 . . . . 1.0 111.47 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.87 52.13 3.89 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 124.788 3.658 . . . . 1.0 112.579 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.52 63.06 0.39 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.649 1.979 . . . . 1.0 113.429 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.29 164.02 16.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.78 2.032 . . . . 1.0 111.864 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -133.01 149.29 52.23 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.287 1.835 . . . . 1.0 110.185 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -136.1 15.12 3.29 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.645 1.35 . . . . 1.0 114.645 -175.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -146.14 170.9 15.76 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.348 1.459 . . . . 1.0 112.968 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.14 169.76 19.31 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.637 1.575 . . . . 1.0 112.11 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.1 151.4 90.2 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 124.646 1.178 . . . . 1.0 113.264 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -71.82 166.52 29.26 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.713 2.942 . . . . 1.0 113.134 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.97 33.38 1.56 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.601 1.56 . . . . 1.0 112.387 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.9 -16.04 37.58 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.808 1.781 . . . . 1.0 115.808 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -78.21 58.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 126.119 1.767 . . . . 1.0 110.387 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.4 p -139.87 -14.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.32 1.848 . . . . 1.0 113.788 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.98 -19.77 62.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.675 1.19 . . . . 1.0 113.559 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.92 -177.63 44.17 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.943 1.259 . . . . 1.0 113.859 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.06 153.35 37.73 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.342 1.457 . . . . 1.0 113.188 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -141.36 151.28 43.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.849 1.66 . . . . 1.0 111.185 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -141.08 32.04 1.76 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.905 1.682 . . . . 1.0 113.451 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p -61.0 -0.92 0.35 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 118.539 2.792 . . . . 1.0 118.539 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -130.5 -21.25 2.85 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.193 2.294 . . . . 1.0 117.193 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -144.13 163.26 34.09 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.377 1.444 . . . . 1.0 113.996 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 t -144.26 91.35 6.42 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 126.109 1.764 . . . . 1.0 110.415 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.69 -20.05 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.946 2.431 . . . . 1.0 113.635 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.03 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.771 0.829 . . . . 1.0 110.27 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 78.3 m -98.05 -10.37 24.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.158 1.383 . . . . 1.0 113.578 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 21.0 m120 60.87 55.24 3.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.877 2.471 . . . . 1.0 111.635 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 53.4 mtm -135.55 168.18 19.72 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.133 1.373 . . . . 1.0 113.41 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -131.92 163.19 28.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.039 2.136 . . . . 1.0 110.174 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -130.97 145.67 52.12 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.09 0.774 . . . . 1.0 113.09 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -76.46 -18.89 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.095 1.358 . . . . 1.0 114.565 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 t -155.82 148.43 17.87 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 125.072 1.349 . . . . 1.0 112.001 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -50.67 -34.01 42.01 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.762 2.975 . . . . 1.0 113.757 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.47 -44.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.357 1.063 . . . . 1.0 110.773 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.83 -41.49 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.677 0.791 . . . . 1.0 110.348 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.66 54.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.161 0.584 . . . . 1.0 112.228 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.61 -42.76 99.33 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.314 -0.866 . . . . 1.0 112.321 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 m -59.75 -36.33 76.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.535 0.734 . . . . 1.0 112.12 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.81 -50.16 63.48 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.664 0.666 . . . . 1.0 111.054 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.95 -36.27 76.74 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.954 1.094 . . . . 1.0 113.954 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -85.52 -9.05 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 113.354 0.872 . . . . 1.0 113.354 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.93 159.4 23.68 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.82 1.2 . . . . 1.0 113.717 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -16.97 63.53 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 m -58.48 -39.92 81.29 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.335 1.054 . . . . 1.0 111.186 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.64 -44.48 74.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.286 0.634 . . . . 1.0 110.404 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.85 -38.74 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.236 1.414 . . . . 1.0 112.293 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.32 -39.47 75.91 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.09 0.859 . . . . 1.0 110.646 174.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.04 -38.98 69.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.279 -0.867 . . . . 1.0 111.326 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.37 -48.71 73.86 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.267 1.394 . . . . 1.0 110.068 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.16 -41.86 93.71 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.896 1.279 . . . . 1.0 111.706 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.75 -44.77 96.24 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.986 0.914 . . . . 1.0 111.201 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -63.84 -41.02 97.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.739 0.815 . . . . 1.0 111.813 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.57 -38.21 83.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.471 0.709 . . . . 1.0 112.25 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 125.03 1.332 . . . . 1.0 110.763 178.126 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 CA-C-O 121.221 0.534 . . . . 1.0 112.235 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.27 -17.68 4.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.698 2.399 . . . . 1.0 115.62 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -132.58 14.41 4.47 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.896 1.678 . . . . 1.0 111.997 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -74.76 -23.07 58.48 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.82 -1.175 . . . . 1.0 113.334 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.87 -175.55 38.95 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.089 1.328 . . . . 1.0 113.406 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -133.44 18.19 3.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.581 1.553 . . . . 1.0 113.886 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.48 -175.89 40.81 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.247 1.403 . . . . 1.0 113.142 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.0 127.28 31.29 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.633 1.173 . . . . 1.0 112.403 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.0 164.59 34.15 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.194 1.398 . . . . 1.0 112.029 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -124.68 74.54 1.35 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.529 1.132 . . . . 1.0 112.278 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.02 56.66 1.64 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.102 1.761 . . . . 1.0 110.242 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 mp -142.91 161.1 50.53 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 127.419 2.288 . . . . 1.0 111.74 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.09 156.81 56.81 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.039 2.493 . . . . 1.0 111.772 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.73 30.39 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.565 1.146 . . . . 1.0 112.085 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.87 164.22 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.699 1.142 . . . . 1.0 113.175 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.03 -43.13 81.6 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.648 0.779 . . . . 1.0 113.027 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -60.52 -43.02 97.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.002 0.921 . . . . 1.0 111.939 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.32 85.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.968 0.507 . . . . 1.0 111.35 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.74 -46.04 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.513 0.597 . . . . 1.0 110.66 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.43 -43.56 96.67 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.553 -0.717 . . . . 1.0 111.495 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -64.24 -44.32 92.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.303 0.641 . . . . 1.0 111.511 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.52 -43.28 93.48 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.81 1.244 . . . . 1.0 111.533 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.19 -50.06 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 124.024 0.93 . . . . 1.0 110.021 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -60.7 -42.32 96.95 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.785 1.031 . . . . 1.0 113.785 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.59 -12.93 60.31 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.554 0.946 . . . . 1.0 113.554 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -128.18 35.72 4.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.413 1.485 . . . . 1.0 111.856 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -54.07 -18.22 3.44 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.439 1.644 . . . . 1.0 115.439 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -75.38 -16.05 60.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.709 1.604 . . . . 1.0 113.685 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.2 pt -136.5 -22.13 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.316 1.446 . . . . 1.0 114.812 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -119.84 154.74 33.86 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.495 1.518 . . . . 1.0 109.724 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.9 p -156.19 170.22 22.73 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.779 0.831 . . . . 1.0 111.585 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.85 -18.97 59.0 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.787 1.032 . . . . 1.0 113.787 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -135.81 6.01 3.15 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.038 1.866 . . . . 1.0 116.038 -176.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -162.03 144.62 11.55 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.602 1.546 . . . . 1.0 113.25 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -117.54 115.0 24.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.013 1.325 . . . . 1.0 109.685 172.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -77.14 -32.09 56.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.64 -35.92 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 123.811 0.844 . . . . 1.0 111.752 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -105.48 7.3 32.99 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.592 1.557 . . . . 1.0 112.219 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m 36.43 54.01 1.04 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.88 2.872 . . . . 1.0 113.717 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.28 148.98 46.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.461 1.104 . . . . 1.0 113.671 -176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.48 147.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.088 1.355 . . . . 1.0 109.405 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -126.09 73.54 1.37 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.257 2.223 . . . . 1.0 108.446 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -52.85 -14.17 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 117.214 2.301 . . . . 1.0 117.214 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -153.74 159.46 41.97 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.105 1.362 . . . . 1.0 110.933 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -56.81 -36.58 70.09 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.684 0.794 . . . . 1.0 111.583 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -59.05 -37.95 78.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.698 1.135 . . . . 1.0 112.799 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -70.85 -44.91 65.46 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.506 0.722 . . . . 1.0 109.875 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -58.71 -47.22 85.33 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.03 0.932 . . . . 1.0 111.099 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.99 -44.98 96.61 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.617 1.167 . . . . 1.0 111.724 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.45 80.07 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.082 0.855 . . . . 1.0 112.122 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -64.57 -51.3 63.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.716 0.807 . . . . 1.0 112.693 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.2 -21.67 62.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.341 1.237 . . . . 1.0 114.341 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -91.24 -12.53 34.95 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.355 0.98 . . . . 1.0 112.962 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.9 t -77.53 130.62 37.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.113 0.965 . . . . 1.0 111.624 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -54.95 -26.98 40.08 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.28 -36.25 75.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.091 0.956 . . . . 1.0 111.485 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.98 -49.21 73.4 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.4 0.68 . . . . 1.0 110.696 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.85 85.94 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.93 -0.481 . . . . 1.0 111.934 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -57.71 -47.05 83.49 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.935 -0.478 . . . . 1.0 111.383 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.81 -34.34 77.61 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 118.062 -0.97 . . . . 1.0 112.44 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.99 -45.42 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.655 1.116 . . . . 1.0 111.2 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -61.16 -41.0 95.97 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.467 1.031 . . . . 1.0 111.069 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -61.24 -51.08 70.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.016 1.326 . . . . 1.0 110.016 173.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -60.13 -40.39 89.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.392 1.077 . . . . 1.0 113.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.0 mmt -57.54 -32.64 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.629 0.772 . . . . 1.0 112.073 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.52 -19.16 62.93 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 113.192 0.812 . . . . 1.0 113.192 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.1 mm -93.65 -40.12 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.569 . . . . 1.0 110.524 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -140.66 93.68 2.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.622 1.969 . . . . 1.0 109.867 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -57.74 158.19 6.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.064 1.505 . . . . 1.0 115.064 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.33 -179.14 44.76 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.816 1.674 . . . . 1.0 112.14 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -139.8 145.64 38.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.808 1.243 . . . . 1.0 111.504 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -156.56 173.73 16.49 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.199 1.8 . . . . 1.0 110.293 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -143.32 164.79 29.26 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.584 1.154 . . . . 1.0 113.711 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.3 m -142.81 160.63 52.6 Favored Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 127.036 2.134 . . . . 1.0 110.399 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.81 106.39 0.14 Allowed 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.934 3.089 . . . . 1.0 113.28 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.03 31.07 1.14 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.613 1.565 . . . . 1.0 112.675 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -128.38 165.6 20.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.062 1.745 . . . . 1.0 111.816 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -146.53 179.96 7.18 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.12 1.768 . . . . 1.0 112.547 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.78 163.17 19.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.85 1.26 . . . . 1.0 112.769 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -121.41 96.17 4.97 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.818 1.647 . . . . 1.0 110.292 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 171.2 5.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.199 1.4 . . . . 1.0 113.731 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.05 153.43 63.68 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 126.123 1.769 . . . . 1.0 110.806 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.52 143.43 62.89 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.04 2.493 . . . . 1.0 112.89 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -156.95 166.72 32.58 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.259 1.824 . . . . 1.0 110.938 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.5 146.76 26.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.445 1.098 . . . . 1.0 111.524 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mp -139.86 53.58 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 126.876 2.07 . . . . 1.0 108.365 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -65.93 165.84 12.41 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.355 1.062 . . . . 1.0 113.042 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.72 -17.33 5.7 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.593 1.957 . . . . 1.0 114.947 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -135.13 25.84 3.3 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.434 1.968 . . . . 1.0 112.643 177.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -146.69 56.35 1.15 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.729 1.611 . . . . 1.0 110.794 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 172.12 13.17 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.952 1.301 . . . . 1.0 113.2 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -133.2 38.8 3.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.842 1.657 . . . . 1.0 112.533 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.6 p -132.45 -21.13 2.3 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.563 1.545 . . . . 1.0 113.248 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -121.08 -10.28 9.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.754 2.022 . . . . 1.0 111.519 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.1 t -146.16 162.03 38.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.607 1.563 . . . . 1.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.4 t -142.42 95.82 6.49 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 127.104 2.162 . . . . 1.0 109.176 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.36 -22.0 29.92 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.691 2.261 . . . . 1.0 113.58 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.06 -23.48 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 1.0 111.745 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -122.51 -8.52 8.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.361 1.864 . . . . 1.0 113.701 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.2 t30 55.08 58.15 4.97 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.674 2.79 . . . . 1.0 112.576 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtm -135.4 169.39 17.57 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.486 1.514 . . . . 1.0 112.538 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.4 p -131.07 157.96 41.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.055 1.742 . . . . 1.0 111.994 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -131.36 147.09 52.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.444 1.498 . . . . 1.0 112.3 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.8 p -71.9 -30.54 65.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.4 m -150.48 153.89 34.96 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.121 1.369 . . . . 1.0 112.184 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.22 -40.07 42.68 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 124.182 3.255 . . . . 1.0 115.597 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -37.85 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.473 -0.767 . . . . 1.0 111.696 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.44 -40.08 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.666 0.786 . . . . 1.0 110.06 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.8 84.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.936 0.494 . . . . 1.0 110.97 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.62 -43.4 89.64 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.546 -0.721 . . . . 1.0 111.515 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 m -60.77 -36.2 78.35 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.501 0.72 . . . . 1.0 112.211 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -70.15 -50.22 42.66 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.717 -0.615 . . . . 1.0 111.248 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -56.03 -31.21 62.91 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.462 1.282 . . . . 1.0 114.462 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.43 -4.72 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.59 157.85 26.91 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.419 1.009 . . . . 1.0 114.46 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -57.45 -32.62 67.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.438 1.095 . . . . 1.0 113.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -56.75 -43.88 81.19 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.586 1.154 . . . . 1.0 111.255 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -70.25 -42.68 71.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.962 -0.461 . . . . 1.0 111.615 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.93 -37.65 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.953 0.901 . . . . 1.0 111.581 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.42 -40.11 74.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.408 -0.808 . . . . 1.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.9 -22.83 55.69 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.083 0.953 . . . . 1.0 113.072 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.64 -50.91 65.24 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.314 1.416 . . . . 1.0 108.39 172.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -58.68 -32.12 68.84 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.836 0.854 . . . . 1.0 112.453 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.7 tp -66.86 -15.03 63.36 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.002 1.321 . . . . 1.0 113.094 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -115.01 -30.49 6.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.165 1.786 . . . . 1.0 112.924 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.08 -35.2 80.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.388 1.075 . . . . 1.0 112.41 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 124.446 1.098 . . . . 1.0 111.574 178.361 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.74 1.015 . . . . 1.0 113.74 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -145.55 170.53 16.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.091 1.356 . . . . 1.0 113.11 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.09 174.79 14.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.715 2.006 . . . . 1.0 110.944 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -136.77 -48.47 0.62 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.509 0.929 . . . . 1.0 113.509 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.77 172.53 35.68 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.705 0.669 . . . . 1.0 114.403 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -143.67 170.94 14.91 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.571 1.948 . . . . 1.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.01 -28.2 0.04 OUTLIER Glycine 0 CA--C 1.535 1.341 0 N-CA-C 115.384 0.914 . . . . 1.0 115.384 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.06 164.17 18.44 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.368 1.084 . . . . 1.0 112.172 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.72 145.77 38.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.211 . . . . 1.0 112.543 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -160.6 160.25 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.281 2.232 . . . . 1.0 108.395 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -75.69 14.96 0.55 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.729 1.612 . . . . 1.0 112.829 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -140.62 166.37 23.51 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 129.631 3.173 . . . . 1.0 109.455 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -48.82 140.14 23.63 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.282 2.655 . . . . 1.0 112.937 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 23.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 122.59 1.186 . . . . 1.0 113.189 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.18 165.56 36.12 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.081 1.324 . . . . 1.0 113.219 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.54 -36.7 76.64 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.8 -45.23 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.759 0.709 . . . . 1.0 111.734 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.9 83.75 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.194 0.598 . . . . 1.0 111.462 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.76 -46.24 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 122.973 0.509 . . . . 1.0 111.677 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -60.96 -43.06 99.27 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.121 0.873 . . . . 1.0 111.204 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -64.89 -43.21 93.64 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.724 0.809 . . . . 1.0 111.406 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -43.39 97.63 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.123 -0.986 . . . . 1.0 111.482 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.64 -46.62 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.849 0.86 . . . . 1.0 109.551 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -58.72 -47.55 84.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.569 1.148 . . . . 1.0 112.646 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.5 -13.93 62.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -132.88 36.45 3.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.2 1.4 . . . . 1.0 112.199 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.5 p -55.24 -16.96 3.76 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.444 1.646 . . . . 1.0 115.444 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -81.93 -14.67 55.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.223 1.809 . . . . 1.0 113.783 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.2 pt -135.36 -12.83 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 125.416 1.486 . . . . 1.0 114.902 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -128.46 152.98 47.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.249 1.82 . . . . 1.0 109.623 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -155.88 163.64 39.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.729 1.211 . . . . 1.0 111.391 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.98 -16.28 41.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.448 1.277 . . . . 1.0 114.448 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 p -126.42 -2.91 6.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.09 1.515 . . . . 1.0 115.09 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -163.13 135.78 5.45 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.123 1.329 . . . . 1.0 112.892 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.2 t -102.34 114.86 29.39 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.329 -1.36 . . . . 1.0 107.329 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -20.49 31.3 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.744 1.016 . . . . 1.0 113.744 -176.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.14 -36.08 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 118.967 0.803 . . . . 1.0 110.528 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 64.3 m -103.97 6.31 36.12 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.554 1.542 . . . . 1.0 112.637 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.3 m 38.13 55.79 1.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.049 2.539 . . . . 1.0 113.41 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.55 139.28 43.81 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.555 1.142 . . . . 1.0 112.685 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.3 t -87.62 146.08 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.534 1.134 . . . . 1.0 109.433 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -122.63 75.64 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.108 2.163 . . . . 1.0 108.653 -174.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.65 -17.58 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 116.688 2.107 . . . . 1.0 116.688 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 t -154.53 162.08 41.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.385 1.474 . . . . 1.0 110.65 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -57.02 -35.75 69.63 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.798 0.839 . . . . 1.0 112.112 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.1 p -62.18 -40.71 96.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.025 1.284 . . . . 1.0 112.263 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -67.4 -41.3 85.15 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.676 -0.64 . . . . 1.0 110.242 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -60.04 -47.7 84.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.244 0.618 . . . . 1.0 110.985 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.75 -48.22 81.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.149 0.98 . . . . 1.0 110.829 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.35 99.02 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.808 0.67 . . . . 1.0 112.808 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -66.31 -51.37 58.01 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.701 0.682 . . . . 1.0 112.264 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -66.38 -17.82 65.0 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.206 1.188 . . . . 1.0 114.206 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -97.94 -12.73 21.71 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.391 1.076 . . . . 1.0 113.459 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.0 p -68.65 154.72 41.39 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -68.09 -33.46 74.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.066 . . . . 1.0 111.874 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.34 -45.16 77.2 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.907 1.283 . . . . 1.0 110.991 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -61.72 -48.49 80.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.851 0.86 . . . . 1.0 110.468 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.13 83.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.94 0.496 . . . . 1.0 111.909 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -63.85 -47.24 81.51 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.554 -0.736 . . . . 1.0 112.003 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -60.19 -45.31 93.58 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.95 0.796 . . . . 1.0 111.746 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.83 -44.11 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.816 -0.612 . . . . 1.0 110.689 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -57.89 -43.12 85.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.383 0.992 . . . . 1.0 112.174 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -67.28 -48.73 66.81 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 118.502 0.592 . . . . 1.0 111.359 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.42 -41.8 90.38 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.879 1.272 . . . . 1.0 112.958 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.96 -32.91 71.25 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.381 1.072 . . . . 1.0 112.34 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.44 72.89 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.616 0.644 . . . . 1.0 112.06 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.1 mm -74.75 -38.97 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.246 1.018 . . . . 1.0 110.665 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -77.8 60.97 2.36 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.25 1.82 . . . . 1.0 112.721 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -137.46 161.68 35.7 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.098 1.759 . . . . 1.0 110.893 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.9 175.17 21.26 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.97 1.272 . . . . 1.0 114.574 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -145.43 -179.98 7.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.027 1.731 . . . . 1.0 112.014 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -143.78 155.74 44.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.701 1.2 . . . . 1.0 111.981 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -73.14 117.22 14.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.46 1.104 . . . . 1.0 111.811 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 m -144.73 152.44 52.47 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.806 1.642 . . . . 1.0 110.978 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.08 -22.6 19.19 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 122.879 2.386 . . . . 1.0 113.534 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.67 162.93 28.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.928 1.291 . . . . 1.0 112.822 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.49 26.79 0.08 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.929 1.692 . . . . 1.0 114.27 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -76.87 55.23 1.07 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.767 2.027 . . . . 1.0 111.883 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -68.51 -17.01 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.871 1.268 . . . . 1.0 113.673 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.45 169.72 7.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.137 1.775 . . . . 1.0 112.623 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 131.78 50.13 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.849 0.459 . . . . 1.0 110.529 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.62 149.82 11.14 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.436 1.094 . . . . 1.0 112.606 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.44 172.5 14.9 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.287 2.658 . . . . 1.0 111.536 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 138.27 54.93 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.797 0.839 . . . . 1.0 112.933 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -92.41 5.18 51.64 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.368 1.467 . . . . 1.0 112.919 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.6 mm -76.18 48.58 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 126.596 1.958 . . . . 1.0 111.787 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -62.26 -23.4 66.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.42 -1.425 . . . . 1.0 113.889 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.7 -5.47 45.78 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.429 1.492 . . . . 1.0 112.961 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.15 -125.93 0.98 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.225 1.869 . . . . 1.0 111.212 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -151.31 150.33 30.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.282 1.033 . . . . 1.0 111.514 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -146.59 158.32 43.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.314 1.846 . . . . 1.0 109.098 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -141.14 -176.13 4.58 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.526 1.53 . . . . 1.0 111.382 -175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 m 59.9 -27.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 130.028 3.331 . . . . 1.0 118.033 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -83.06 -27.22 30.43 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.839 1.199 . . . . 1.0 112.328 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.7 p -150.4 169.45 21.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.333 1.453 . . . . 1.0 113.22 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.7 t -134.61 92.12 20.37 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 127.374 2.269 . . . . 1.0 107.244 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 -29.78 25.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.403 2.735 . . . . 1.0 116.463 -172.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.3 -47.66 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.458 1.481 . . . . 1.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.51 -9.06 58.38 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.294 1.038 . . . . 1.0 112.904 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 62.2 t30 52.28 63.55 2.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.868 3.267 . . . . 1.0 114.362 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -146.49 169.45 18.9 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.509 1.123 . . . . 1.0 113.178 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.8 p -125.76 163.08 23.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.901 1.68 . . . . 1.0 111.409 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.1 145.06 51.86 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.368 0.877 . . . . 1.0 113.368 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 p -77.05 -23.43 52.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.676 1.19 . . . . 1.0 113.814 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.8 m -145.32 149.04 39.89 Favored Pre-proline 0 N--CA 1.471 0.619 0 C-N-CA 126.242 1.817 . . . . 1.0 110.588 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.84 -27.93 59.18 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.246 2.631 . . . . 1.0 113.675 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.79 -32.89 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.669 0.788 . . . . 1.0 111.507 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.86 -42.04 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.652 0.781 . . . . 1.0 110.274 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.92 78.48 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.392 0.677 . . . . 1.0 110.836 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.95 -43.57 91.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.853 -0.529 . . . . 1.0 111.409 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -59.93 -38.38 82.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.415 1.086 . . . . 1.0 112.055 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -70.06 -43.13 71.81 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.822 0.849 . . . . 1.0 111.886 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.89 -27.98 63.21 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.704 1.742 . . . . 1.0 115.704 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -74.95 -0.09 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.358 1.435 . . . . 1.0 114.649 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.34 158.31 19.71 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.785 1.184 . . . . 1.0 113.709 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -62.34 -16.6 55.3 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.464 1.283 . . . . 1.0 114.464 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -52.89 -44.02 66.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.756 1.162 . . . . 1.0 112.25 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.39 -47.03 83.71 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.631 -0.668 . . . . 1.0 110.802 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.93 -37.11 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.301 1.44 . . . . 1.0 112.516 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.56 -37.73 84.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.093 -1.004 . . . . 1.0 110.609 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.79 -40.78 75.81 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.188 -0.911 . . . . 1.0 110.476 173.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.9 mt -55.72 -46.59 77.71 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 120.091 1.314 . . . . 1.0 110.932 175.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.05 -44.65 91.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.507 1.523 . . . . 1.0 112.422 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.86 -40.5 79.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.456 1.102 . . . . 1.0 112.285 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -78.75 -17.16 56.26 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.335 1.854 . . . . 1.0 115.059 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 67.67 -38.21 0.35 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.856 2.862 . . . . 1.0 114.049 -175.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 125.462 1.505 . . . . 1.0 111.587 176.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.987 0 N-CA-C 112.975 0.731 . . . . 1.0 112.975 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -147.73 169.5 19.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.937 1.695 . . . . 1.0 111.497 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -140.87 122.18 14.88 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.306 1.442 . . . . 1.0 111.23 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.1 -31.32 71.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.734 1.214 . . . . 1.0 111.811 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.15 0.83 51.67 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.61 1.1 . . . . 1.0 114.337 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -137.33 28.29 2.79 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.472 1.909 . . . . 1.0 111.74 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.63 -163.56 13.1 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.486 1.517 . . . . 1.0 113.079 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -58.86 140.4 55.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.072 0.949 . . . . 1.0 112.357 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.26 177.12 9.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.258 1.423 . . . . 1.0 112.334 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.02 94.71 0.5 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.794 1.638 . . . . 1.0 111.646 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -75.46 48.33 0.43 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.624 1.97 . . . . 1.0 112.929 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.16 137.02 12.49 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.753 2.021 . . . . 1.0 109.948 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -73.38 154.59 50.96 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.419 2.746 . . . . 1.0 111.966 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -140.59 26.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-O 122.439 1.114 . . . . 1.0 113.295 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.01 166.86 37.28 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.334 1.445 . . . . 1.0 112.649 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -55.63 -43.13 75.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.534 0.734 . . . . 1.0 112.707 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.26 -41.9 94.21 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.398 1.079 . . . . 1.0 112.447 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.41 74.85 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.123 0.569 . . . . 1.0 111.208 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.32 -44.77 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.381 0.537 . . . . 1.0 110.438 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -60.24 -44.33 95.32 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.839 0.855 . . . . 1.0 111.125 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.3 m -63.96 -40.99 97.68 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.459 0.704 . . . . 1.0 112.498 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.56 -43.65 98.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.582 1.153 . . . . 1.0 111.009 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.38 -46.48 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.208 1.003 . . . . 1.0 110.417 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -56.85 -46.99 81.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.103 1.361 . . . . 1.0 112.6 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -83.6 -7.24 59.55 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.467 1.284 . . . . 1.0 114.467 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -134.33 36.28 3.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.215 1.406 . . . . 1.0 111.779 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.0 p -54.63 -18.31 4.36 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.655 1.724 . . . . 1.0 115.655 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -76.98 -20.26 56.3 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.634 1.573 . . . . 1.0 113.504 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.08 -17.48 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.392 1.477 . . . . 1.0 114.955 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.84 149.83 48.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.672 1.589 . . . . 1.0 109.614 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -153.06 169.34 23.18 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.237 1.015 . . . . 1.0 111.966 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.73 -19.22 48.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.81 1.244 . . . . 1.0 113.951 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -133.5 4.28 3.65 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.885 1.809 . . . . 1.0 115.885 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -163.34 144.41 9.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.65 1.568 . . . . 1.0 113.233 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.9 t -115.83 114.66 25.04 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.197 1.399 . . . . 1.0 108.398 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -76.69 -33.21 58.24 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.056 0.761 . . . . 1.0 113.056 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.61 -33.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.336 0.655 . . . . 1.0 111.525 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.6 9.64 25.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 1.0 112.342 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m 34.72 56.98 0.73 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.672 2.789 . . . . 1.0 113.623 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.78 141.02 42.94 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.288 1.035 . . . . 1.0 113.235 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -87.83 147.43 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.828 1.251 . . . . 1.0 109.364 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.79 70.01 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.145 2.178 . . . . 1.0 109.248 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 pt -52.2 -19.74 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 117.06 2.245 . . . . 1.0 117.06 -175.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 m -145.95 157.94 43.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.071 1.348 . . . . 1.0 111.074 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.93 -36.4 70.19 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.0 p -60.18 -37.3 79.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.572 1.078 . . . . 1.0 112.508 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -69.97 -45.01 68.29 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.333 0.653 . . . . 1.0 109.854 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -60.13 -47.65 85.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.457 0.703 . . . . 1.0 111.038 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.57 -43.57 98.48 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.208 1.003 . . . . 1.0 111.564 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -40.96 77.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.329 0.968 . . . . 1.0 112.522 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -66.55 -51.31 57.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.521 0.601 . . . . 1.0 111.831 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -66.97 -31.85 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.07 -8.67 59.51 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.237 0.926 . . . . 1.0 113.346 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.5 t -67.94 136.76 54.47 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.199 -0.938 . . . . 1.0 112.707 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -63.08 -30.45 71.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.468 0.707 . . . . 1.0 111.452 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.89 -45.15 87.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.827 0.851 . . . . 1.0 110.428 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -60.91 -49.39 77.67 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.551 0.741 . . . . 1.0 110.404 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.34 84.5 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -64.0 -46.07 86.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.559 -0.713 . . . . 1.0 111.656 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -61.01 -43.78 98.38 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.168 0.987 . . . . 1.0 110.86 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.46 -43.12 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.166 0.986 . . . . 1.0 110.98 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.4 ttp-105 -59.25 -43.59 92.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.265 0.939 . . . . 1.0 111.188 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -63.86 -48.91 74.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.379 0.672 . . . . 1.0 111.199 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -56.09 -44.3 78.89 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.983 0.913 . . . . 1.0 112.114 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.9 mmt -69.51 -38.12 77.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.984 0.914 . . . . 1.0 112.506 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -37.32 87.04 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.612 0.765 . . . . 1.0 112.398 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.27 -26.26 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.383 1.473 . . . . 1.0 112.92 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.34 -6.14 27.85 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.141 1.163 . . . . 1.0 114.141 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -136.66 178.32 7.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.484 1.914 . . . . 1.0 111.044 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.38 169.26 54.8 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.371 -0.831 . . . . 1.0 111.766 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -137.37 171.74 14.02 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.904 1.282 . . . . 1.0 111.777 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -145.01 175.49 10.19 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.113 1.365 . . . . 1.0 112.567 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.3 p -137.91 -179.58 5.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.69 1.996 . . . . 1.0 112.936 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 m -74.01 158.64 85.52 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 124.791 1.237 . . . . 1.0 113.512 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.42 -34.33 60.78 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 123.848 3.032 . . . . 1.0 114.446 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.47 -9.55 13.3 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.13 1.372 . . . . 1.0 114.481 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -118.59 10.12 12.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.617 1.967 . . . . 1.0 112.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.49 147.7 25.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.491 1.516 . . . . 1.0 111.441 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -145.15 177.81 8.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.143 1.377 . . . . 1.0 111.807 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -152.31 155.25 37.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.434 1.494 . . . . 1.0 112.58 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.05 160.05 43.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.368 1.467 . . . . 1.0 111.51 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.88 60.36 Favored Pre-proline 0 CA--C 1.555 1.138 0 N-CA-C 116.188 1.921 . . . . 1.0 116.188 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.84 156.63 39.35 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.316 2.011 . . . . 1.0 113.258 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.84 8.0 34.24 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.129 1.372 . . . . 1.0 113.751 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -73.47 45.6 0.18 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.207 2.203 . . . . 1.0 113.705 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 86.7 mt -51.92 115.63 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.722 2.009 . . . . 1.0 111.089 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.5 m -139.64 19.26 2.52 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.028 1.731 . . . . 1.0 112.361 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -151.98 178.32 9.55 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.667 1.987 . . . . 1.0 110.57 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.4 7.97 0.03 OUTLIER Glycine 0 CA--C 1.544 1.858 0 C-N-CA 127.112 2.292 . . . . 1.0 117.512 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -74.63 -11.51 60.21 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.567 -1.549 . . . . 1.0 111.913 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.18 -4.96 1.29 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.983 2.113 . . . . 1.0 116.59 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.7 -45.2 38.88 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.593 1.557 . . . . 1.0 112.522 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m -65.09 21.5 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.644 2.378 . . . . 1.0 116.159 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -125.91 -10.78 6.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.608 1.963 . . . . 1.0 112.53 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.5 p -135.89 164.42 27.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.026 1.33 . . . . 1.0 113.583 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.8 t -148.02 89.37 5.28 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.734 1.614 . . . . 1.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.86 -30.09 22.34 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.889 2.393 . . . . 1.0 114.879 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.4 t -64.53 -46.88 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.189 0.904 . . . . 1.0 110.405 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -83.94 -8.93 59.05 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.598 1.159 . . . . 1.0 112.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.89 59.57 3.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.982 3.313 . . . . 1.0 114.117 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -150.26 179.38 8.16 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.136 1.374 . . . . 1.0 113.361 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.7 p -132.03 167.51 19.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.012 1.725 . . . . 1.0 112.917 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -131.22 147.03 52.55 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.268 1.427 . . . . 1.0 112.019 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.0 p -77.63 -26.49 50.58 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.114 0.966 . . . . 1.0 113.328 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -139.02 145.57 45.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.598 1.559 . . . . 1.0 112.19 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.13 -25.1 65.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.993 2.462 . . . . 1.0 113.137 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.6 t -63.92 -38.93 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.244 0.929 . . . . 1.0 110.448 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 t -65.65 -43.74 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.913 0.885 . . . . 1.0 109.951 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.45 65.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.703 0.801 . . . . 1.0 111.828 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.79 -42.85 90.01 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.753 0.821 . . . . 1.0 111.827 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.8 t -63.9 -40.36 96.32 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.844 . . . . 1.0 111.844 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -66.97 -48.25 69.09 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 1.0 112.935 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -54.93 -31.09 60.03 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.681 1.363 . . . . 1.0 114.681 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 pp -91.32 -2.08 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 113.942 1.09 . . . . 1.0 113.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.44 153.75 21.87 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.342 0.972 . . . . 1.0 113.298 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.7 -25.7 67.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.128 1.158 . . . . 1.0 114.128 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.3 m -59.12 -40.07 84.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.22 0.918 . . . . 1.0 111.138 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -69.35 -46.62 66.56 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.377 0.671 . . . . 1.0 110.614 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.969 1.308 . . . . 1.0 112.242 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.18 -40.42 85.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.421 -0.8 . . . . 1.0 110.702 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -71.4 -36.21 71.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.647 0.779 . . . . 1.0 111.606 175.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.92 -49.22 77.5 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.616 1.098 . . . . 1.0 109.751 173.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -61.61 -43.89 98.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.295 1.838 . . . . 1.0 112.193 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.23 -38.04 79.0 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.782 1.233 . . . . 1.0 112.657 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -94.68 -7.48 40.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.89 30.75 20.27 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.041 2.136 . . . . 1.0 112.875 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 125.496 1.518 . . . . 1.0 111.472 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.073 0 N-CA-C 115.315 1.598 . . . . 1.0 115.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -134.62 28.82 3.59 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.23 1.812 . . . . 1.0 111.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -136.97 167.41 21.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.58 1.552 . . . . 1.0 113.194 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -146.42 -13.95 0.45 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.596 1.958 . . . . 1.0 113.169 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.16 3.47 89.64 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 120.943 -1.098 . . . . 1.0 115.13 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -152.3 148.5 27.6 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.188 1.795 . . . . 1.0 110.617 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.87 -33.96 2.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.476 1.036 . . . . 1.0 113.786 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -155.38 155.35 33.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.69 1.196 . . . . 1.0 112.841 178.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.91 31.86 0.62 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.419 1.488 . . . . 1.0 112.568 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.7 101.83 0.39 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.593 1.557 . . . . 1.0 110.527 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -130.36 28.59 4.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.381 1.872 . . . . 1.0 112.718 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.75 165.31 42.89 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 127.636 2.374 . . . . 1.0 113.687 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -58.75 158.54 23.84 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.581 2.854 . . . . 1.0 113.659 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 t -129.52 31.68 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.312 1.045 . . . . 1.0 112.561 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.65 157.62 19.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.065 -1.022 . . . . 1.0 113.384 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.85 -37.93 71.99 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.92 -44.69 91.37 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.886 0.766 . . . . 1.0 111.885 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.36 74.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.053 -0.498 . . . . 1.0 111.52 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.43 -42.97 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.351 0.978 . . . . 1.0 110.652 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -59.68 -46.18 89.82 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.205 1.002 . . . . 1.0 110.799 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.0 t -62.16 -44.2 97.14 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.898 -0.502 . . . . 1.0 111.343 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.85 -41.57 91.74 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.807 1.243 . . . . 1.0 112.158 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.13 -50.12 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.134 0.974 . . . . 1.0 109.877 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -61.26 -42.73 99.13 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.305 1.042 . . . . 1.0 113.091 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -68.98 -15.22 63.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.295 1.038 . . . . 1.0 113.359 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -131.43 35.61 3.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.694 1.598 . . . . 1.0 112.083 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -53.62 -19.82 4.41 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.553 1.686 . . . . 1.0 115.553 -177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -74.82 -19.82 60.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.746 1.619 . . . . 1.0 113.598 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -131.97 -20.88 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.27 1.582 . . . . 1.0 115.27 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -121.75 150.25 42.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.253 1.421 . . . . 1.0 109.827 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -154.87 168.61 26.34 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.799 1.24 . . . . 1.0 111.276 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.74 -15.41 53.07 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.991 1.108 . . . . 1.0 113.991 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 p -131.8 0.87 3.95 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.743 1.757 . . . . 1.0 115.743 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -163.81 145.4 9.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.454 1.479 . . . . 1.0 113.398 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -117.24 115.8 26.0 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.221 1.408 . . . . 1.0 108.966 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -73.92 -37.22 64.69 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.687 0.995 . . . . 1.0 113.687 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.6 -39.45 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.62 0.768 . . . . 1.0 111.126 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -101.54 8.11 42.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.437 1.495 . . . . 1.0 112.407 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p 32.59 54.93 0.38 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.092 2.957 . . . . 1.0 114.034 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.13 145.86 44.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.738 1.215 . . . . 1.0 113.079 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.9 149.7 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.118 1.367 . . . . 1.0 109.742 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 mt -125.46 73.79 1.34 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.343 2.257 . . . . 1.0 109.147 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 pt -55.81 -12.62 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 117.048 2.24 . . . . 1.0 117.048 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -152.23 156.25 39.35 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.068 1.347 . . . . 1.0 110.951 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -56.94 -39.17 74.04 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.804 0.842 . . . . 1.0 112.184 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.0 m -61.84 -35.78 79.27 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.238 0.926 . . . . 1.0 112.02 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.76 -43.83 74.97 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.853 -0.529 . . . . 1.0 109.799 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -58.6 -47.68 83.51 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.414 0.686 . . . . 1.0 111.007 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.0 -52.15 66.21 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.029 0.932 . . . . 1.0 110.777 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.63 86.96 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -67.85 -51.12 51.99 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.951 0.796 . . . . 1.0 112.11 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -66.13 -17.34 64.65 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.499 0.925 . . . . 1.0 113.499 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -102.61 -2.87 27.57 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.315 1.446 . . . . 1.0 112.905 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -71.55 133.56 45.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.635 1.174 . . . . 1.0 112.846 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -55.02 -31.36 61.01 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.379 1.472 . . . . 1.0 112.803 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -39.25 82.56 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.643 1.177 . . . . 1.0 112.097 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -61.27 -43.14 99.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.101 0.96 . . . . 1.0 111.001 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.98 81.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.755 0.707 . . . . 1.0 111.994 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -62.78 -47.1 84.95 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.107 0.563 . . . . 1.0 111.752 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -65.52 -40.83 93.4 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.734 0.642 . . . . 1.0 112.734 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 118.589 0.631 . . . . 1.0 110.437 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.82 -42.18 98.7 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.301 0.955 . . . . 1.0 111.962 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -61.41 -42.39 98.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.907 0.883 . . . . 1.0 111.45 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -70.28 -40.26 74.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.34 1.056 . . . . 1.0 112.329 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.6 mmt -62.59 -23.48 67.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.972 -1.08 . . . . 1.0 112.345 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.15 -9.75 59.05 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.878 0.871 . . . . 1.0 112.36 173.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mm -108.13 -47.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.898 2.079 . . . . 1.0 109.713 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -71.42 161.13 31.54 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.363 1.865 . . . . 1.0 113.265 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -83.33 62.37 6.67 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.344 1.458 . . . . 1.0 110.461 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.9 -172.27 19.82 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.819 1.2 . . . . 1.0 114.607 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -138.88 169.24 18.15 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.052 1.741 . . . . 1.0 112.139 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -59.78 151.57 25.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.212 1.405 . . . . 1.0 114.447 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 m -61.17 111.72 1.83 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.199 1.799 . . . . 1.0 113.096 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.77 128.21 85.76 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.664 0.786 . . . . 1.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -83.18 -2.21 10.61 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.506 3.471 . . . . 1.0 115.703 -176.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.04 -21.29 1.74 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.445 1.646 . . . . 1.0 115.445 -178.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -49.39 -33.58 14.09 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.476 2.31 . . . . 1.0 113.002 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -54.47 -28.13 42.45 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.317 1.847 . . . . 1.0 114.068 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.05 -24.79 66.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.63 1.172 . . . . 1.0 113.803 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -91.1 45.66 1.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.869 1.667 . . . . 1.0 113.591 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.04 138.19 29.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.787 1.235 . . . . 1.0 112.136 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.73 159.14 27.76 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.18 1.792 . . . . 1.0 111.423 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.0 141.13 68.78 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.936 3.091 . . . . 1.0 113.561 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.21 29.2 0.57 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.105 1.15 . . . . 1.0 114.105 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.6 137.88 30.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.758 -1.214 . . . . 1.0 113.27 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -54.36 -36.98 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 126.432 1.893 . . . . 1.0 112.325 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.1 m -57.67 -14.67 5.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.237 1.815 . . . . 1.0 115.179 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.44 -35.52 65.54 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.876 1.217 . . . . 1.0 113.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.38 -45.78 1.0 Allowed Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.502 1.049 . . . . 1.0 115.197 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.46 -21.66 65.62 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.11 1.893 . . . . 1.0 116.11 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -116.47 0.72 12.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.9 1.444 . . . . 1.0 114.9 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.9 -27.55 60.87 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.057 0.943 . . . . 1.0 112.375 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p -74.11 -8.14 55.1 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.304 1.841 . . . . 1.0 114.353 177.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -123.2 -32.31 3.46 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.649 1.179 . . . . 1.0 113.498 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 39.2 m -139.0 158.45 44.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.911 0.884 . . . . 1.0 112.656 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.2 t -133.93 99.29 13.88 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.94 1.696 . . . . 1.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -70.87 -20.34 29.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.909 2.406 . . . . 1.0 113.294 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.28 -37.17 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.03 1.332 . . . . 1.0 111.163 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.5 m -111.01 -11.33 14.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.961 1.704 . . . . 1.0 113.722 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.9 t30 58.82 57.2 3.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.102 2.561 . . . . 1.0 111.963 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.9 mtm -135.61 170.61 15.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.676 1.59 . . . . 1.0 112.602 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.2 p -131.07 161.08 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.8 1.64 . . . . 1.0 111.769 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.23 147.06 52.55 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.714 1.605 . . . . 1.0 112.259 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 p -76.05 -21.25 56.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.555 1.317 . . . . 1.0 114.555 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 157.32 23.13 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 125.623 1.569 . . . . 1.0 111.949 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.06 -36.62 66.18 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.975 3.117 . . . . 1.0 114.938 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.42 -37.2 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.601 0.76 . . . . 1.0 111.27 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 -39.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.908 0.883 . . . . 1.0 110.107 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.11 74.65 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.22 0.608 . . . . 1.0 110.752 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -43.03 91.74 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.665 0.786 . . . . 1.0 111.585 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.0 m -61.76 -38.08 86.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.889 0.876 . . . . 1.0 111.979 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.29 -48.27 68.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.557 0.743 . . . . 1.0 111.343 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.56 -31.22 67.79 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.365 1.246 . . . . 1.0 114.365 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.0 pp -89.58 -3.13 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 113.358 0.873 . . . . 1.0 113.358 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.31 160.64 22.14 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.924 1.25 . . . . 1.0 114.066 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -59.54 -30.51 68.66 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -55.28 -44.09 75.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.287 1.035 . . . . 1.0 111.987 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -68.86 -45.31 71.39 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.826 -0.546 . . . . 1.0 111.227 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.82 -43.88 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.019 1.328 . . . . 1.0 112.205 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -59.96 -40.97 90.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.685 0.794 . . . . 1.0 111.355 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -64.36 -29.73 70.8 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.141 -0.933 . . . . 1.0 112.802 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.66 -44.08 85.44 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.131 1.332 . . . . 1.0 110.46 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.84 -45.12 71.94 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 123.644 0.777 . . . . 1.0 111.505 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.11 -39.06 77.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.793 0.724 . . . . 1.0 111.998 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -65.22 -33.57 76.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.813 1.245 . . . . 1.0 113.474 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -91.96 -22.71 19.86 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.947 1.299 . . . . 1.0 114.016 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 126.314 1.845 . . . . 1.0 110.953 -177.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 113.925 1.083 . . . . 1.0 113.925 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.55 12.86 2.75 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.836 1.254 . . . . 1.0 113.447 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.83 -7.93 51.27 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.764 1.394 . . . . 1.0 114.764 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.74 163.07 28.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.244 1.418 . . . . 1.0 112.714 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.6 172.62 43.69 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.469 1.033 . . . . 1.0 113.633 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -142.17 177.96 7.88 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.883 1.673 . . . . 1.0 111.553 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.31 173.61 43.69 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 126.287 1.899 . . . . 1.0 111.963 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.74 143.79 27.81 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 1.0 112.276 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.54 109.08 1.53 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.206 1.403 . . . . 1.0 112.93 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 tp -159.93 175.09 13.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.972 2.509 . . . . 1.0 107.68 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.12 -13.0 61.88 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.639 1.176 . . . . 1.0 113.893 176.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp -81.4 164.66 48.69 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.974 2.51 . . . . 1.0 110.998 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.39 145.14 29.08 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.079 2.519 . . . . 1.0 112.314 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.17 21.71 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.509 1.124 . . . . 1.0 113.645 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.4 170.81 36.65 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.291 0.948 . . . . 1.0 113.741 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -55.8 -38.34 69.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.544 1.138 . . . . 1.0 113.273 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -61.63 -44.91 96.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.585 0.754 . . . . 1.0 112.325 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.07 76.64 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.114 0.565 . . . . 1.0 111.302 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.52 -44.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.004 0.522 . . . . 1.0 110.872 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.24 -47.82 84.28 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.626 -0.671 . . . . 1.0 110.809 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.67 0.668 . . . . 1.0 111.79 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.94 -40.69 85.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.418 1.087 . . . . 1.0 111.493 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.84 -48.39 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.033 0.933 . . . . 1.0 110.258 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -62.2 -40.79 97.24 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.477 1.035 . . . . 1.0 113.199 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.8 -15.09 61.64 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -134.35 36.99 3.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.146 1.378 . . . . 1.0 112.523 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.3 p -52.97 -20.18 3.21 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.737 1.754 . . . . 1.0 115.737 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -75.86 -20.51 58.04 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.73 1.612 . . . . 1.0 113.841 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 pt -130.14 -19.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.021 1.489 . . . . 1.0 115.021 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -124.56 142.17 51.55 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.269 1.427 . . . . 1.0 109.301 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 p -145.82 172.74 12.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.472 1.109 . . . . 1.0 111.31 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.18 -11.77 44.07 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.469 0.914 . . . . 1.0 113.469 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -133.81 -1.15 3.07 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.656 1.724 . . . . 1.0 115.656 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -161.13 146.49 14.11 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.735 1.607 . . . . 1.0 113.493 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -117.35 114.44 23.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.876 1.271 . . . . 1.0 108.189 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -76.89 -31.57 56.84 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.71 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.227 0.611 . . . . 1.0 110.756 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.2 m -98.7 6.43 46.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.554 1.541 . . . . 1.0 112.724 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 m 36.98 55.07 1.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 128.24 2.616 . . . . 1.0 113.276 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.98 143.02 42.59 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.403 1.081 . . . . 1.0 113.408 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.92 148.51 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.049 1.34 . . . . 1.0 109.511 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -126.68 71.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.487 2.315 . . . . 1.0 108.741 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 pt -50.75 -21.6 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 116.907 2.188 . . . . 1.0 116.907 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -144.62 157.43 44.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.372 1.469 . . . . 1.0 110.948 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.85 -35.5 68.93 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.268 0.627 . . . . 1.0 112.388 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.8 p -58.37 -38.46 77.32 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.302 -0.874 . . . . 1.0 112.481 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -69.64 -42.7 73.94 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.719 0.807 . . . . 1.0 110.087 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.71 -47.48 85.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 1.0 110.963 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.02 -41.07 95.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.292 1.037 . . . . 1.0 111.819 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.6 -47.1 61.87 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.961 0.801 . . . . 1.0 112.786 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -61.55 -51.1 70.0 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.997 0.919 . . . . 1.0 112.762 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -68.13 -21.57 64.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -89.66 -15.84 31.76 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.038 0.835 . . . . 1.0 112.727 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 140.4 58.54 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 1.0 113.803 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.4 -32.6 74.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.833 0.853 . . . . 1.0 111.613 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -64.35 -42.22 96.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.985 0.914 . . . . 1.0 111.448 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -60.05 -48.93 79.66 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.142 0.577 . . . . 1.0 110.498 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.44 89.26 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.226 0.466 . . . . 1.0 112.167 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.21 -45.41 94.68 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.68 -0.637 . . . . 1.0 111.091 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.68 -43.3 99.12 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.211 1.004 . . . . 1.0 111.348 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.39 -44.29 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.995 0.918 . . . . 1.0 110.691 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -59.81 -43.07 94.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.636 1.107 . . . . 1.0 111.881 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -63.17 -46.21 88.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.05 0.94 . . . . 1.0 111.348 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.5 -43.45 97.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.645 1.178 . . . . 1.0 112.522 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.6 mmt -60.24 -34.58 73.89 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.052 0.941 . . . . 1.0 112.416 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -19.33 65.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.81 1.041 . . . . 1.0 113.81 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.68 -30.38 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.682 1.193 . . . . 1.0 110.762 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -72.09 94.5 1.52 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.252 1.421 . . . . 1.0 110.788 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -54.87 134.87 48.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.06 1.344 . . . . 1.0 112.889 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.63 -169.44 38.64 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.635 1.112 . . . . 1.0 112.807 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.99 40.24 0.15 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.4 1.88 . . . . 1.0 113.277 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -56.72 -16.41 6.35 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.043 1.868 . . . . 1.0 116.043 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 m -64.17 -13.64 49.85 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.326 1.45 . . . . 1.0 114.174 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.17 155.92 72.34 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 126.323 1.849 . . . . 1.0 111.375 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.9 64.14 5.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 124.464 3.443 . . . . 1.0 112.398 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.96 173.35 11.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.086 1.754 . . . . 1.0 112.4 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -68.47 168.91 11.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.268 1.427 . . . . 1.0 112.544 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -50.12 -35.79 27.2 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.294 1.838 . . . . 1.0 113.792 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -136.33 158.28 44.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.094 1.758 . . . . 1.0 111.218 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.05 66.68 0.84 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.517 1.527 . . . . 1.0 110.324 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.6 -12.29 51.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.976 1.31 . . . . 1.0 114.236 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -145.05 156.74 54.82 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.271 2.229 . . . . 1.0 109.88 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.18 101.94 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.532 2.821 . . . . 1.0 112.05 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -141.17 17.02 2.26 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.659 1.584 . . . . 1.0 113.315 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.12 155.33 37.17 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.718 1.207 . . . . 1.0 112.895 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.41 38.99 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 125.817 1.647 . . . . 1.0 109.809 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.8 p -119.17 -4.67 10.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.334 1.854 . . . . 1.0 114.599 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -136.38 14.33 3.23 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.181 1.793 . . . . 1.0 111.841 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.77 -178.65 45.57 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 127.55 2.5 . . . . 1.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.76 146.98 32.42 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.131 0.972 . . . . 1.0 111.258 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.43 -51.57 69.33 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.333 -0.854 . . . . 1.0 112.098 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 -65.42 -12.31 51.1 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.612 1.708 . . . . 1.0 115.612 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.1 p -96.82 -1.5 46.01 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.211 0.914 . . . . 1.0 113.201 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -134.74 -17.83 1.92 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.543 1.537 . . . . 1.0 114.192 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -142.43 159.05 42.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.502 1.521 . . . . 1.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 43.6 t -136.15 89.76 19.45 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.713 2.005 . . . . 1.0 108.684 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -65.13 -23.45 60.38 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.667 2.245 . . . . 1.0 113.339 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.05 -35.87 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.29 1.036 . . . . 1.0 110.96 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.8 m -109.3 -4.68 16.26 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.778 1.631 . . . . 1.0 113.975 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.06 59.39 4.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.769 2.828 . . . . 1.0 112.794 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.7 ptm -149.17 171.56 16.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.456 1.502 . . . . 1.0 112.948 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.7 p -128.45 168.79 15.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.111 1.764 . . . . 1.0 112.777 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -130.9 147.0 52.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.612 1.165 . . . . 1.0 113.328 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 p -69.07 -37.93 78.76 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 1.0 113.305 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 m -141.23 155.07 68.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 125.751 1.62 . . . . 1.0 112.29 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.46 -28.84 78.26 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.361 2.707 . . . . 1.0 114.178 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.97 -37.23 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 1.0 110.805 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.52 -42.91 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.846 0.858 . . . . 1.0 109.988 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.44 73.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.847 0.859 . . . . 1.0 112.913 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -39.24 93.52 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.42 -0.8 . . . . 1.0 112.109 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.6 m -64.19 -38.67 91.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.856 0.862 . . . . 1.0 112.139 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -61.92 -49.67 75.24 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.608 -0.683 . . . . 1.0 111.641 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -56.21 -14.7 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.27 6.17 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.099 1.36 . . . . 1.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.72 159.48 19.06 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.211 1.386 . . . . 1.0 113.766 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.02 -36.11 67.61 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.226 1.195 . . . . 1.0 114.226 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -56.13 -41.7 75.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.981 0.913 . . . . 1.0 111.807 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -70.19 -44.29 68.99 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.449 0.7 . . . . 1.0 110.968 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.22 -38.55 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.271 1.029 . . . . 1.0 111.982 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -59.05 -36.2 74.64 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.27 -0.894 . . . . 1.0 110.995 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -74.92 -34.78 62.18 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.219 -0.896 . . . . 1.0 111.467 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.3 -46.64 85.74 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.502 1.501 . . . . 1.0 109.909 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -62.36 -32.86 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.858 1.263 . . . . 1.0 112.52 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 tp -73.89 -45.57 49.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.251 1.02 . . . . 1.0 110.949 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -60.54 -37.35 80.91 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.373 1.469 . . . . 1.0 111.976 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.05 -13.16 62.28 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.358 1.463 . . . . 1.0 112.727 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.239 0.548 0 C-N-CA 126.373 1.869 . . . . 1.0 110.631 -178.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.75 163.77 37.78 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.134 1.373 . . . . 1.0 112.689 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.99 167.71 27.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.821 1.648 . . . . 1.0 111.95 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -74.76 149.98 39.55 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 1.0 112.058 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.09 45.1 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.692 1.139 . . . . 1.0 113.44 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -151.92 170.35 20.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.626 1.57 . . . . 1.0 111.997 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.64 164.52 38.0 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.446 1.022 . . . . 1.0 113.314 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.76 174.77 14.52 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.936 1.694 . . . . 1.0 110.855 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 159.37 9.17 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.779 1.231 . . . . 1.0 112.094 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' CD1' ' H ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -146.28 179.61 7.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.208 1.403 . . . . 1.0 111.098 -177.245 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 24.9 t0 -137.99 48.77 1.97 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.867 3.267 . . . . 1.0 107.207 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.27 33.0 tp -58.12 -74.55 0.14 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 127.494 2.318 . . . . 1.0 111.373 -172.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 54' ' ' GLN . 74.0 Cg_endo -69.01 136.22 34.38 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 N-CA-C 106.201 -2.269 . . . . 1.0 106.201 167.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.52 125.27 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 1.0 112.799 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.4 175.89 27.38 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.773 1.177 . . . . 1.0 114.49 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.53 -38.59 87.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.489 0.716 . . . . 1.0 112.652 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -58.18 -46.18 86.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.722 1.209 . . . . 1.0 113.249 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.79 85.28 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.84 -0.538 . . . . 1.0 111.562 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.2 -43.49 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.098 0.559 . . . . 1.0 110.688 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.87 -44.17 94.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.783 0.833 . . . . 1.0 111.085 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.32 -44.08 92.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.338 0.655 . . . . 1.0 111.231 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.19 -42.54 91.1 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.331 1.452 . . . . 1.0 111.47 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.8 -49.67 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.798 0.839 . . . . 1.0 109.725 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -57.76 -46.62 84.27 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.336 1.454 . . . . 1.0 113.364 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.74 -15.47 63.15 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.455 1.102 . . . . 1.0 113.664 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -130.99 36.04 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.404 1.482 . . . . 1.0 112.385 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -54.12 -19.1 4.44 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.633 1.716 . . . . 1.0 115.633 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -75.38 -19.22 59.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.672 1.589 . . . . 1.0 113.648 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.7 pt -130.77 -19.33 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.0 1.481 . . . . 1.0 115.0 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -123.94 150.2 45.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.044 1.338 . . . . 1.0 109.965 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -149.01 173.51 13.28 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.034 0.933 . . . . 1.0 111.959 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -17.4 56.65 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.978 1.311 . . . . 1.0 113.503 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -135.87 0.32 2.65 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.804 1.779 . . . . 1.0 115.804 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -159.22 146.49 17.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.909 1.686 . . . . 1.0 113.539 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -117.75 115.45 25.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.986 1.314 . . . . 1.0 109.807 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.52 -37.9 65.5 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.285 0.846 . . . . 1.0 113.285 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.95 -40.85 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.462 1.105 . . . . 1.0 111.722 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.41 7.25 44.36 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.946 1.298 . . . . 1.0 112.022 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 p 34.1 52.49 0.48 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.327 3.051 . . . . 1.0 114.19 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.23 149.57 47.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.82 1.248 . . . . 1.0 113.516 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.89 148.05 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.222 1.409 . . . . 1.0 109.677 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.8 mt -122.55 75.04 1.22 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.631 2.372 . . . . 1.0 107.879 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 pt -51.66 -19.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 117.192 2.293 . . . . 1.0 117.192 -173.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 t -154.16 164.12 39.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.817 1.247 . . . . 1.0 111.04 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.5 -38.06 74.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.798 0.839 . . . . 1.0 112.766 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 p -61.58 -39.54 91.54 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.807 1.185 . . . . 1.0 112.335 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -67.92 -43.81 78.32 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.858 -0.526 . . . . 1.0 110.316 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -59.3 -47.76 84.16 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.594 0.634 . . . . 1.0 111.324 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.32 -54.07 50.09 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.375 1.07 . . . . 1.0 110.492 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.39 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.402 0.89 . . . . 1.0 113.402 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -66.25 -51.36 58.31 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.801 -0.562 . . . . 1.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.22 -26.52 63.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 52.9 mt-30 -69.09 -27.94 66.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.897 1.073 . . . . 1.0 113.897 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -75.51 147.46 39.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -27.52 68.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.816 1.646 . . . . 1.0 111.817 174.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.66 -43.19 94.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.083 1.353 . . . . 1.0 111.222 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -60.21 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.17 0.588 . . . . 1.0 110.29 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.94 73.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.608 0.596 . . . . 1.0 112.608 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.64 -42.51 82.15 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.202 -0.936 . . . . 1.0 111.152 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.55 -36.67 84.49 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.5 -0.75 . . . . 1.0 110.952 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.21 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.227 0.921 . . . . 1.0 109.988 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -57.99 -43.51 86.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.888 . . . . 1.0 111.641 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.85 -45.48 82.03 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.169 0.988 . . . . 1.0 111.706 176.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.25 -42.5 99.2 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.739 1.216 . . . . 1.0 111.932 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.1 mmt -61.63 -35.02 76.7 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.226 -0.921 . . . . 1.0 112.009 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.31 -13.02 61.61 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.07 -28.91 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.118 0.967 . . . . 1.0 110.454 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -61.63 151.43 33.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.618 0.767 . . . . 1.0 112.357 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -60.81 149.21 36.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.06 -176.58 43.76 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.806 1.193 . . . . 1.0 113.185 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.73 166.39 30.55 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.486 1.514 . . . . 1.0 112.211 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.84 141.18 58.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.197 0.999 . . . . 1.0 111.97 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -152.8 -179.91 8.06 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.433 1.093 . . . . 1.0 112.711 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.79 142.31 27.82 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.993 1.717 . . . . 1.0 111.143 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.75 -8.95 24.91 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.148 2.565 . . . . 1.0 114.371 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -20.11 9.4 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.291 1.437 . . . . 1.0 114.38 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -58.22 -19.93 37.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 1.0 113.598 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -119.06 29.85 7.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.927 2.091 . . . . 1.0 111.633 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -139.57 178.09 7.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.072 1.749 . . . . 1.0 111.539 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -72.0 58.39 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.656 2.382 . . . . 1.0 112.783 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.2 163.47 32.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.961 1.704 . . . . 1.0 112.289 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.47 149.61 97.91 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.339 1.056 . . . . 1.0 113.13 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.17 165.88 31.49 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.674 2.916 . . . . 1.0 112.411 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.83 140.25 58.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.848 0.859 . . . . 1.0 112.319 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -156.85 156.48 33.26 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.582 1.553 . . . . 1.0 110.627 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.5 142.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.256 1.022 . . . . 1.0 110.772 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.5 p -138.89 175.95 9.11 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.493 1.917 . . . . 1.0 110.872 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.5 122.66 13.19 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.397 -0.814 . . . . 1.0 112.559 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.65 -174.19 46.7 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.586 1.089 . . . . 1.0 113.024 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.96 -27.08 2.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.561 1.689 . . . . 1.0 115.561 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.96 -19.17 28.48 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.691 1.196 . . . . 1.0 113.616 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -133.91 17.89 3.83 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.582 1.553 . . . . 1.0 114.67 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p -145.59 23.93 1.41 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.029 1.862 . . . . 1.0 116.029 -175.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.23 -15.63 4.12 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.549 1.685 . . . . 1.0 115.549 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.9 t -145.15 157.04 44.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.965 1.306 . . . . 1.0 111.769 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.9 t -140.58 88.02 11.21 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.267 1.427 . . . . 1.0 110.908 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.63 -27.19 82.12 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.59 2.86 . . . . 1.0 113.973 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.41 -28.14 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.886 1.674 . . . . 1.0 112.075 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.25 -8.68 9.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.976 1.711 . . . . 1.0 113.485 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.11 57.94 3.78 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 128.911 2.884 . . . . 1.0 111.602 -176.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 58.5 mtm -137.01 169.13 18.3 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.306 1.442 . . . . 1.0 112.946 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 39.6 p -132.02 161.07 34.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.478 1.911 . . . . 1.0 110.824 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -131.12 142.49 50.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.973 0.909 . . . . 1.0 112.635 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -80.08 -10.77 59.79 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.259 1.424 . . . . 1.0 114.37 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 t -151.09 145.57 18.23 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 125.563 1.545 . . . . 1.0 111.111 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -64.69 -26.21 61.06 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.776 2.317 . . . . 1.0 112.501 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -66.23 -39.52 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.445 0.698 . . . . 1.0 110.449 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.67 -43.91 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.809 0.843 . . . . 1.0 109.914 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.01 74.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.409 0.684 . . . . 1.0 111.715 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.63 -42.26 87.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.829 0.851 . . . . 1.0 111.752 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 t -64.92 -43.31 93.21 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.554 0.742 . . . . 1.0 111.286 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -61.96 -48.85 78.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.996 0.919 . . . . 1.0 112.864 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -56.92 -17.38 9.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.009 1.485 . . . . 1.0 115.009 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -113.71 3.69 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.056 1.343 . . . . 1.0 113.469 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.03 158.04 24.61 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.585 1.088 . . . . 1.0 113.496 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.55 -30.54 68.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.63 0.974 . . . . 1.0 113.63 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.9 m -59.36 -42.54 91.84 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.248 1.019 . . . . 1.0 111.53 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -65.47 -44.09 88.23 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.529 0.731 . . . . 1.0 110.982 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.74 -41.69 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.828 1.251 . . . . 1.0 111.42 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.64 -39.69 85.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.178 0.991 . . . . 1.0 111.411 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.95 -27.79 69.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 118.643 -0.694 . . . . 1.0 112.697 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.74 -46.55 89.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.742 1.155 . . . . 1.0 109.719 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -64.81 -36.23 83.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.26 1.024 . . . . 1.0 111.326 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.79 83.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.731 0.812 . . . . 1.0 110.422 176.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -43.59 97.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.146 0.978 . . . . 1.0 111.996 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.48 -35.31 80.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.178 0.991 . . . . 1.0 112.86 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 C--O 1.238 0.489 0 C-N-CA 125.88 1.672 . . . . 1.0 110.438 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 113.595 0.961 . . . . 1.0 113.595 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -147.16 153.05 39.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.242 1.417 . . . . 1.0 111.477 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -73.98 -9.62 58.82 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.712 1.375 . . . . 1.0 114.712 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -131.66 165.24 24.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.28 1.432 . . . . 1.0 112.906 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.04 -178.34 45.76 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.444 1.497 . . . . 1.0 113.093 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -61.07 151.05 31.96 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.434 1.094 . . . . 1.0 113.462 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.82 -156.96 28.88 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.745 1.164 . . . . 1.0 112.962 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.62 -13.36 41.52 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.791 1.636 . . . . 1.0 114.252 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.93 174.03 0.18 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.029 2.132 . . . . 1.0 115.823 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -143.16 133.03 24.03 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.016 2.126 . . . . 1.0 108.525 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -112.07 40.11 2.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.645 1.578 . . . . 1.0 112.716 -176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.53 154.06 57.53 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.285 1.034 . . . . 1.0 112.582 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.89 143.82 29.15 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.592 2.861 . . . . 1.0 114.715 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.39 25.17 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.064 1.345 . . . . 1.0 112.076 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -175.69 168.31 40.59 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.133 1.349 . . . . 1.0 113.48 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -56.22 -43.4 78.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.086 1.354 . . . . 1.0 113.034 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.88 -43.81 87.22 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.036 0.934 . . . . 1.0 112.085 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.76 98.12 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.312 0.486 . . . . 1.0 112.312 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.5 t -65.89 -46.75 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.816 0.735 . . . . 1.0 111.232 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -65.59 -37.51 86.86 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.668 -0.645 . . . . 1.0 111.817 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -65.52 -44.07 88.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.165 0.586 . . . . 1.0 111.408 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.13 -42.27 98.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.846 0.858 . . . . 1.0 111.384 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.89 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.841 0.857 . . . . 1.0 109.997 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -59.19 -44.43 92.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.397 1.079 . . . . 1.0 113.17 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.63 -14.2 61.54 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.142 1.164 . . . . 1.0 114.142 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -134.5 39.25 3.05 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.052 1.341 . . . . 1.0 112.524 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.6 p -53.38 -18.57 2.68 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.543 1.682 . . . . 1.0 115.543 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -76.51 -21.18 56.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.755 1.622 . . . . 1.0 113.894 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.85 -19.54 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 114.983 1.475 . . . . 1.0 114.983 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -123.95 149.08 46.36 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.335 1.454 . . . . 1.0 109.377 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -151.85 169.49 22.14 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.109 0.964 . . . . 1.0 111.791 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.89 -19.3 50.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.766 1.227 . . . . 1.0 113.958 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.8 p -133.64 3.39 3.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.786 1.772 . . . . 1.0 115.786 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -162.84 145.86 10.87 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.643 1.565 . . . . 1.0 113.472 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -117.26 116.47 27.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.415 1.486 . . . . 1.0 109.259 173.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -76.96 -33.19 57.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.713 1.005 . . . . 1.0 113.713 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.11 -40.54 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.148 0.886 . . . . 1.0 110.588 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -98.99 6.6 46.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.704 1.202 . . . . 1.0 112.619 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m 36.84 55.63 1.19 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.387 2.675 . . . . 1.0 113.432 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.16 143.2 42.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.283 1.033 . . . . 1.0 113.465 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.89 146.98 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.982 1.313 . . . . 1.0 109.488 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -124.37 75.17 1.37 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.406 2.282 . . . . 1.0 108.855 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 pt -53.29 -15.75 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -155.51 160.43 40.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.055 1.342 . . . . 1.0 110.829 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.65 -34.69 69.62 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.95 0.9 . . . . 1.0 112.376 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -62.5 -41.49 98.86 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 1.0 111.904 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -68.42 -41.73 79.95 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.613 0.765 . . . . 1.0 110.431 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -60.21 -47.64 85.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.405 0.682 . . . . 1.0 110.642 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.6 -44.66 96.01 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.717 1.207 . . . . 1.0 111.476 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.91 86.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.78 0.718 . . . . 1.0 112.185 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.88 -51.29 62.8 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.49 0.552 . . . . 1.0 112.49 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -68.45 -27.75 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.837 1.051 . . . . 1.0 113.837 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -82.86 -15.04 53.09 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.499 1.045 . . . . 1.0 112.825 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -64.45 138.85 58.64 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.712 1.004 . . . . 1.0 113.712 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -62.44 -32.64 73.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.94 0.896 . . . . 1.0 111.484 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -61.89 -45.27 94.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.191 0.996 . . . . 1.0 111.212 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -63.76 -49.66 72.12 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.473 0.709 . . . . 1.0 110.653 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.51 91.81 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.49 -47.03 85.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.616 0.767 . . . . 1.0 111.093 176.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.47 -41.19 96.86 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.341 0.519 . . . . 1.0 111.611 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.83 -45.0 99.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.675 0.79 . . . . 1.0 111.118 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -59.49 -43.26 93.35 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.489 1.041 . . . . 1.0 111.399 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -64.93 -45.36 86.15 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.652 1.181 . . . . 1.0 111.756 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.7 -44.59 95.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.699 1.6 . . . . 1.0 111.751 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.4 mmt -61.51 -35.6 78.17 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.358 -0.839 . . . . 1.0 112.016 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.83 -12.05 61.11 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.008 1.114 . . . . 1.0 114.008 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.3 mm -71.83 -28.46 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.51 1.05 . . . . 1.0 111.109 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -54.52 119.96 5.99 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.688 0.795 . . . . 1.0 112.007 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -73.64 161.26 30.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.027 0.931 . . . . 1.0 112.489 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.01 176.75 48.17 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.547 1.07 . . . . 1.0 113.743 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -140.84 14.48 2.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.089 1.356 . . . . 1.0 113.637 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -138.66 35.18 2.21 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.866 1.666 . . . . 1.0 111.725 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.7 m -55.28 149.14 13.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.856 1.662 . . . . 1.0 113.919 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.39 135.73 75.63 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.299 1.039 . . . . 1.0 111.323 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -72.02 -7.01 20.24 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.261 2.641 . . . . 1.0 114.497 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.12 -12.2 59.34 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.11 1.522 . . . . 1.0 115.11 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -63.2 156.35 25.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.683 1.193 . . . . 1.0 112.524 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.84 156.14 21.41 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.029 1.332 . . . . 1.0 113.391 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -71.31 -19.65 62.29 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.372 1.469 . . . . 1.0 113.847 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -58.96 135.58 57.64 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.678 1.591 . . . . 1.0 112.066 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.92 28.85 1.12 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.969 1.308 . . . . 1.0 113.251 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 148.08 69.03 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.172 0.989 . . . . 1.0 112.994 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.68 134.6 40.81 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.164 3.242 . . . . 1.0 114.861 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -147.92 13.03 1.0 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.403 1.481 . . . . 1.0 113.143 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -154.02 -179.88 8.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.323 1.849 . . . . 1.0 111.406 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 87' ' ' ILE . 3.0 mp -77.49 60.34 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.344 1.458 . . . . 1.0 110.414 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.0 m -58.49 -19.01 33.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.648 1.579 . . . . 1.0 114.874 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.59 -30.81 71.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.644 1.177 . . . . 1.0 113.494 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.72 171.36 22.78 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.646 1.117 . . . . 1.0 114.324 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.9 149.38 31.79 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.124 1.37 . . . . 1.0 113.05 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -141.19 -52.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.433 1.093 . . . . 1.0 113.825 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -152.8 -44.19 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.998 2.119 . . . . 1.0 111.54 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -64.8 -4.69 4.65 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.821 1.785 . . . . 1.0 115.821 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -135.5 -14.18 1.96 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.983 1.713 . . . . 1.0 114.713 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 31.4 p -150.03 162.81 39.66 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.81 1.411 . . . . 1.0 114.81 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.9 t -146.16 95.22 4.78 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.107 1.763 . . . . 1.0 110.307 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.28 -25.0 31.23 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.756 2.304 . . . . 1.0 113.293 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.81 -28.2 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.818 1.247 . . . . 1.0 111.52 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.6 m -121.27 1.3 10.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.428 1.891 . . . . 1.0 114.364 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . 0.29 9.1 p30 45.95 54.16 8.3 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 129.087 2.955 . . . . 1.0 113.893 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.48 168.34 18.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.454 1.501 . . . . 1.0 112.884 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -130.96 160.26 35.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.455 1.902 . . . . 1.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -131.19 144.72 51.56 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.962 1.305 . . . . 1.0 111.794 -176.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.4 p -72.27 -35.19 68.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.075 1.139 . . . . 1.0 114.075 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 m -144.79 156.63 55.74 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 125.219 1.407 . . . . 1.0 112.305 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.56 -41.58 44.35 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.991 3.127 . . . . 1.0 115.22 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.1 t -63.56 -34.24 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.567 -0.708 . . . . 1.0 112.029 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.76 -40.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.639 0.776 . . . . 1.0 109.69 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.66 77.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.049 0.54 . . . . 1.0 110.802 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.44 -43.06 88.62 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.584 -0.698 . . . . 1.0 111.123 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.9 m -59.78 -35.94 75.68 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.881 0.872 . . . . 1.0 112.127 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.1 -50.32 29.08 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.231 0.469 . . . . 1.0 111.122 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -60.7 -38.91 86.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.109 1.151 . . . . 1.0 114.109 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 pp -81.34 -16.2 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.077 0.853 . . . . 1.0 113.214 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.97 161.78 33.42 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.524 1.059 . . . . 1.0 113.857 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.91 -21.09 66.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.977 1.102 . . . . 1.0 113.977 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 m -55.01 -44.06 74.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.57 1.148 . . . . 1.0 111.522 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -70.37 -44.91 67.1 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.592 0.757 . . . . 1.0 111.766 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.99 -34.35 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.179 1.392 . . . . 1.0 112.235 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.01 -43.47 77.76 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 1.0 110.318 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -70.45 -39.31 74.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.563 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.98 -47.85 67.9 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.649 1.568 . . . . 1.0 110.76 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.38 -44.1 92.82 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.296 1.038 . . . . 1.0 111.875 177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.77 -38.33 88.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.807 0.843 . . . . 1.0 112.616 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.05 -40.29 82.85 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.742 0.817 . . . . 1.0 111.18 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.31 -32.68 66.78 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.743 0.817 . . . . 1.0 112.765 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.635 1.574 . . . . 1.0 110.86 -179.886 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 113.743 1.016 . . . . 1.0 113.743 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.2 -25.08 63.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.586 1.155 . . . . 1.0 113.428 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.29 -16.96 57.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.07 1.348 . . . . 1.0 112.854 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -133.24 30.29 3.92 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.54 1.936 . . . . 1.0 111.378 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.37 -168.6 19.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.432 1.492 . . . . 1.0 113.551 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -153.38 127.94 9.34 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.529 1.131 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -22.38 63.28 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.339 0.971 . . . . 1.0 114.459 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.28 -14.87 62.66 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.948 1.299 . . . . 1.0 113.81 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 26.84 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.216 1.806 . . . . 1.0 114.743 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -133.24 125.89 30.34 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.078 2.151 . . . . 1.0 109.39 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -129.73 20.13 5.57 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.738 1.755 . . . . 1.0 115.738 -172.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.25 162.17 34.85 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 123.952 0.901 . . . . 1.0 112.525 178.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.45 154.09 72.56 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.277 1.985 . . . . 1.0 112.2 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.77 26.04 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 122.427 1.108 . . . . 1.0 113.023 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.11 161.96 32.32 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.838 1.209 . . . . 1.0 113.053 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.86 -41.44 74.37 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.762 1.225 . . . . 1.0 113.077 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.897 0.879 . . . . 1.0 112.113 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.82 80.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 1.0 111.075 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.31 -45.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.019 0.528 . . . . 1.0 110.531 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -58.99 -45.3 90.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.498 0.719 . . . . 1.0 111.417 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.1 m -64.19 -43.38 95.25 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.421 0.689 . . . . 1.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.1 -43.89 91.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.476 1.11 . . . . 1.0 111.402 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.89 -48.7 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.109 0.963 . . . . 1.0 110.049 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.04 -47.4 81.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.019 1.327 . . . . 1.0 112.643 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -15.87 62.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.526 1.13 . . . . 1.0 114.044 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -132.34 39.85 3.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.568 1.147 . . . . 1.0 113.769 -177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -54.16 -19.1 4.52 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.441 1.645 . . . . 1.0 115.441 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -77.77 -15.2 59.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.459 1.904 . . . . 1.0 114.135 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.3 pt -135.14 -20.86 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.631 1.345 . . . . 1.0 114.631 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -124.28 148.34 47.47 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.417 1.487 . . . . 1.0 109.283 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.8 p -152.11 171.81 17.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.858 0.837 . . . . 1.0 112.488 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.61 -20.28 60.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.108 1.363 . . . . 1.0 114.266 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -134.7 2.55 3.19 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.673 1.731 . . . . 1.0 115.673 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -161.83 146.2 12.76 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.481 1.491 . . . . 1.0 113.198 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.9 t -117.29 114.92 24.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.981 1.312 . . . . 1.0 109.361 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.58 -38.9 65.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.321 1.448 . . . . 1.0 114.034 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.26 -40.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 118.868 0.758 . . . . 1.0 111.091 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -97.23 0.86 48.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.971 1.308 . . . . 1.0 112.592 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m 37.37 55.73 1.38 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.487 2.715 . . . . 1.0 112.829 -176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.05 144.5 43.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.918 1.287 . . . . 1.0 112.901 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.84 146.69 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.939 1.296 . . . . 1.0 109.961 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.91 72.3 1.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.544 2.338 . . . . 1.0 108.579 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.2 pt -51.84 -21.79 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 117.133 2.272 . . . . 1.0 117.133 -174.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -145.62 157.32 43.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.295 1.438 . . . . 1.0 111.157 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -56.94 -40.49 76.5 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.466 -0.771 . . . . 1.0 112.438 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -60.64 -39.77 89.54 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.278 0.945 . . . . 1.0 111.988 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -66.11 -41.99 89.81 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.238 1.015 . . . . 1.0 110.665 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -61.76 -47.79 83.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.61 0.764 . . . . 1.0 110.537 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.15 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.292 1.037 . . . . 1.0 111.571 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.62 76.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.596 0.634 . . . . 1.0 112.073 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -61.54 -51.58 68.02 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.592 0.633 . . . . 1.0 112.593 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -65.6 -29.14 69.69 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.443 0.905 . . . . 1.0 113.443 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.92 -9.48 53.52 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.793 1.035 . . . . 1.0 113.793 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 m -74.63 141.56 44.64 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.12 -0.987 . . . . 1.0 112.339 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -57.09 -32.92 66.77 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.245 1.018 . . . . 1.0 113.221 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -59.94 -39.87 87.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.675 1.19 . . . . 1.0 112.179 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -66.17 -48.99 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.514 0.726 . . . . 1.0 110.245 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.18 85.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.048 0.539 . . . . 1.0 111.997 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.41 -47.34 86.24 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.415 0.686 . . . . 1.0 111.428 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.43 -38.48 91.18 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 118.905 -0.569 . . . . 1.0 112.431 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.13 -44.96 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.164 0.893 . . . . 1.0 110.56 174.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -61.12 -43.11 99.39 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.376 0.989 . . . . 1.0 111.789 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -61.97 -45.08 95.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.819 0.848 . . . . 1.0 111.145 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.5 -48.48 81.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.492 0.717 . . . . 1.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.0 mmt -57.47 -35.97 70.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.295 1.038 . . . . 1.0 112.57 177.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.96 72.4 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.73 0.812 . . . . 1.0 112.447 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.7 mt -72.89 -46.88 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.252 1.021 . . . . 1.0 109.654 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.72 148.0 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.27 1.428 . . . . 1.0 111.242 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.24 155.68 38.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.637 -0.664 . . . . 1.0 111.262 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.63 3.5 0.2 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.305 0.955 . . . . 1.0 115.441 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -137.83 3.77 2.5 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.54 1.536 . . . . 1.0 112.311 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -147.83 146.06 28.97 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.794 1.638 . . . . 1.0 111.503 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.0 m -155.3 19.85 0.42 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.132 2.173 . . . . 1.0 111.779 178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.55 131.25 80.29 Favored Pre-proline 0 N--CA 1.479 0.995 0 O-C-N 120.785 -1.197 . . . . 1.0 110.969 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -76.5 51.76 3.38 Favored 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 125.052 3.835 . . . . 1.0 112.721 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.37 -11.21 20.9 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.758 1.623 . . . . 1.0 115.366 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -73.97 58.1 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.1 2.16 . . . . 1.0 112.307 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -141.26 174.84 10.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.232 1.813 . . . . 1.0 113.363 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -61.98 154.83 25.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.7 1.6 . . . . 1.0 112.788 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -88.68 148.99 23.73 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.955 1.302 . . . . 1.0 111.297 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.71 142.67 56.24 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.781 0.833 . . . . 1.0 112.484 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.67 146.4 64.88 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.981 0.912 . . . . 1.0 112.034 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.45 147.7 41.66 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.189 2.592 . . . . 1.0 112.46 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.39 16.78 0.92 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.144 1.378 . . . . 1.0 113.416 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -76.74 -2.4 32.84 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.369 1.618 . . . . 1.0 115.369 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.7 mt -135.01 130.41 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.575 1.55 . . . . 1.0 109.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.4 p -149.8 -14.61 0.27 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.187 1.395 . . . . 1.0 114.432 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -66.84 -21.99 66.01 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.872 1.669 . . . . 1.0 115.004 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.31 -7.34 53.52 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.451 1.34 . . . . 1.0 116.451 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.98 -31.3 70.89 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.129 1.964 . . . . 1.0 111.491 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.27 -17.29 2.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.609 2.363 . . . . 1.0 114.037 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -126.47 11.71 7.43 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.802 1.641 . . . . 1.0 113.33 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -127.13 -32.82 2.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.781 1.233 . . . . 1.0 112.963 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.04 -15.06 20.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.949 1.299 . . . . 1.0 111.888 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -150.53 172.36 15.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.665 1.986 . . . . 1.0 112.228 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -136.54 102.11 9.69 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.672 1.989 . . . . 1.0 108.609 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.35 -19.11 25.83 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.064 2.509 . . . . 1.0 114.247 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.67 -41.73 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.161 0.891 . . . . 1.0 110.286 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.3 m -99.08 -12.33 20.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.003 1.321 . . . . 1.0 113.34 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.85 59.54 3.13 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.27 2.628 . . . . 1.0 112.022 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtm -133.58 167.73 19.96 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.545 1.538 . . . . 1.0 112.545 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.4 p -122.82 157.53 32.26 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.178 1.791 . . . . 1.0 111.782 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -131.27 147.15 52.55 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.192 1.397 . . . . 1.0 112.944 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.1 p -81.04 -15.28 56.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.668 1.187 . . . . 1.0 113.809 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -157.49 147.87 15.93 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 125.998 1.719 . . . . 1.0 111.192 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.01 -21.61 73.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.111 2.54 . . . . 1.0 112.841 176.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.88 -38.11 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.421 -0.799 . . . . 1.0 109.939 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 t -65.22 -41.78 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.756 0.822 . . . . 1.0 110.248 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.34 78.03 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.288 0.635 . . . . 1.0 111.203 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.31 -43.39 92.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.408 0.683 . . . . 1.0 112.177 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.2 m -67.46 -38.48 84.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.23 0.612 . . . . 1.0 112.057 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -62.44 -47.29 84.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.343 1.057 . . . . 1.0 112.043 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -60.63 -22.05 63.38 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.833 1.419 . . . . 1.0 114.833 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.3 pt -101.11 3.6 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.343 1.057 . . . . 1.0 112.952 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.49 155.72 18.95 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.269 1.414 . . . . 1.0 112.86 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.89 -30.96 64.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.101 1.149 . . . . 1.0 114.101 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.0 m -56.83 -44.29 81.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.077 0.951 . . . . 1.0 112.153 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.17 -43.43 70.85 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.679 -0.638 . . . . 1.0 111.343 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.67 -42.28 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.904 1.281 . . . . 1.0 111.202 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.29 -44.56 92.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.238 1.015 . . . . 1.0 110.613 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -63.08 -29.75 71.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 117.986 -1.007 . . . . 1.0 113.1 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.1 -46.11 79.2 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.547 1.521 . . . . 1.0 110.42 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -66.09 -41.72 90.29 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.709 1.204 . . . . 1.0 111.725 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -43.32 99.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.192 0.597 . . . . 1.0 112.055 177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -71.16 -38.65 72.18 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.613 0.765 . . . . 1.0 112.415 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -35.75 77.53 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.749 0.819 . . . . 1.0 112.065 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 126.114 1.766 . . . . 1.0 109.977 -179.742 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_