data_2kr4_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 2kr4 _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 ' 8' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -59.69 -18.9 46.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.842 1.257 . . . . 0.0 113.74 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.96 -5.96 55.1 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.941 1.697 . . . . 0.0 113.538 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 141.91 98.3 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 121.113 -0.992 . . . . 0.0 112.845 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.55 157.68 58.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 123.735 2.957 . . . . 0.0 111.453 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.74 -21.45 65.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.719 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.79 -17.09 57.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.562 1.145 . . . . 0.0 113.634 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -95.14 -20.97 18.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.02 1.328 . . . . 0.0 112.386 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -90.87 144.08 26.06 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.028 0.831 . . . . 0.0 113.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.4 153.15 79.03 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.14 1.376 . . . . 0.0 112.152 170.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.57 -32.25 0.67 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.286 2.658 . . . . 0.0 113.554 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.01 -52.03 8.78 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.027 0.83 . . . . 0.0 111.058 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.3 mmm -89.03 -11.8 43.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.549 1.54 . . . . 0.0 113.86 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 58.56 37.05 25.48 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.755 2.022 . . . . 0.0 113.423 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -142.83 172.01 13.27 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.034 1.334 . . . . 0.0 111.516 -176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.07 118.43 9.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 109.294 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -66.7 -39.58 88.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m 71.7 -35.49 0.33 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.335 2.654 . . . . 0.0 112.62 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.64 83.67 14.17 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 126.982 2.113 . . . . 0.0 110.436 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.76 135.39 23.6 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.345 2.697 . . . . 0.0 110.415 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.41 127.92 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.585 1.554 . . . . 0.0 109.277 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -89.88 137.47 32.31 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.954 1.302 . . . . 0.0 111.551 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -95.72 164.93 17.64 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 126.942 2.097 . . . . 0.0 110.804 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.5 -21.88 59.57 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.77 2.98 . . . . 0.0 113.115 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.6 p -69.82 -11.05 60.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.28 1.432 . . . . 0.0 114.095 170.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 -8.57 79.54 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.041 1.781 . . . . 0.0 113.933 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -68.18 145.86 53.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.102 1.761 . . . . 0.0 110.044 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.08 135.08 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.292 1.037 . . . . 0.0 109.334 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.5 tpp -135.96 165.4 25.75 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.829 1.652 . . . . 0.0 110.44 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.06 137.72 47.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 111.613 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -52.29 -48.84 65.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.606 1.562 . . . . 0.0 113.11 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -70.79 -39.48 73.12 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.341 -0.849 . . . . 0.0 112.553 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -64.76 -44.03 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.299 0.954 . . . . 0.0 111.903 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.93 -44.62 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.251 0.932 . . . . 0.0 111.838 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.31 -28.74 66.53 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.149 0.886 . . . . 0.0 112.942 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -68.72 -37.06 79.2 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.355 0.662 . . . . 0.0 111.369 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -72.58 -36.25 68.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 113.186 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 mt -54.93 -34.67 63.4 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.84 -31.83 73.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 113.117 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.48 -44.63 17.14 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.017 0.927 . . . . 0.0 112.421 175.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.9 p -163.07 151.48 11.89 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.928 1.291 . . . . 0.0 110.712 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.04 59.4 6.5 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.326 3.351 . . . . 0.0 111.513 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 p -149.58 163.71 37.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.221 1.408 . . . . 0.0 113.258 -168.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.05 137.78 97.21 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 126.29 1.836 . . . . 0.0 113.204 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.51 -17.77 33.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.939 3.092 . . . . 0.0 116.398 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -122.6 7.86 9.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.736 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.0 -27.4 0.13 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.767 1.227 . . . . 0.0 114.066 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.272 57.0 mtp180 61.25 28.93 18.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.952 2.101 . . . . 0.0 115.069 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.08 156.11 36.96 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.709 -0.619 . . . . 0.0 109.675 156.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.1 mmm -60.87 143.45 54.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.511 0.724 . . . . 0.0 112.5 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -155.52 136.71 13.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.709 1.604 . . . . 0.0 110.424 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.4 m -133.31 152.64 51.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.569 1.948 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.91 -29.1 62.74 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.306 1.043 . . . . 0.0 113.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p -69.98 -14.82 62.88 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.934 1.294 . . . . 0.0 113.985 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.3 mtt -90.79 -10.11 44.06 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.351 1.46 . . . . 0.0 113.281 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -86.41 150.94 23.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.793 1.637 . . . . 0.0 112.172 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -149.5 118.62 3.85 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 124.622 1.169 . . . . 0.0 110.324 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.83 139.76 89.85 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.111 3.207 . . . . 0.0 112.83 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.85 115.58 64.86 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.713 1.205 . . . . 0.0 110.271 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.6 -40.5 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.53 2.153 . . . . 0.0 112.839 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.37 -19.98 65.5 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -91.42 -45.68 8.42 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.052 0.941 . . . . 0.0 111.713 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.61 -40.12 93.7 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.568 1.076 . . . . 0.0 113.007 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.95 -31.73 70.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.173 0.989 . . . . 0.0 112.331 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.48 -41.65 62.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.627 0.649 . . . . 0.0 112.089 172.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.4 -48.51 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.736 1.214 . . . . 0.0 111.731 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.96 -32.15 73.2 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.1 76.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.547 0.739 . . . . 0.0 111.539 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -64.93 -47.9 76.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.825 0.85 . . . . 0.0 111.918 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.6 mtm -58.24 -34.27 70.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.611 0.765 . . . . 0.0 112.726 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -60.19 -44.85 94.76 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.721 0.691 . . . . 0.0 111.336 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 123.489 0.716 . . . . 0.0 112.787 177.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -61.25 -23.56 65.74 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.659 -1.276 . . . . 0.0 113.337 175.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -84.04 -6.94 59.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.146 1.378 . . . . 0.0 114.186 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 137.18 97.03 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 119.614 1.097 . . . . 0.0 112.302 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.63 158.0 47.84 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 124.118 3.212 . . . . 0.0 111.317 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.92 -28.03 65.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 113.882 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.99 -15.56 61.54 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.4 -5.12 40.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.647 1.179 . . . . 0.0 112.776 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -103.63 154.1 19.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 112.99 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 142.54 62.89 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.177 0.591 . . . . 0.0 111.924 164.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.78 -25.78 8.83 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.42 2.746 . . . . 0.0 113.332 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.95 -52.89 8.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.77 0.828 . . . . 0.0 110.676 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 93.3 mmm -102.49 -13.33 17.27 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.78 5.89 5.29 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.793 2.437 . . . . 0.0 114.188 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.0 p -90.25 160.83 15.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.199 1.4 . . . . 0.0 111.581 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.67 112.78 6.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.613 0.765 . . . . 0.0 109.079 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -71.63 -40.03 70.01 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -166.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.285 4.7 t 55.04 -16.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 130.45 3.5 . . . . 0.0 116.967 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -117.86 73.54 9.12 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.785 2.034 . . . . 0.0 110.554 167.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.27 136.29 24.03 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.374 2.716 . . . . 0.0 110.173 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -134.39 134.49 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.807 1.643 . . . . 0.0 109.862 -174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -88.52 133.25 34.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.415 1.886 . . . . 0.0 110.379 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -98.93 157.8 33.47 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.051 2.141 . . . . 0.0 109.242 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.27 -25.2 49.94 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.045 2.496 . . . . 0.0 114.489 -166.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -77.57 0.64 22.26 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.04 4.59 68.83 Favored Glycine 0 N--CA 1.477 1.422 0 C-N-CA 125.357 1.456 . . . . 0.0 114.666 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 m -74.18 145.08 44.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.262 1.425 . . . . 0.0 109.521 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -106.39 137.41 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 109.596 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 tpp -137.68 164.16 29.52 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.329 1.852 . . . . 0.0 110.515 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.11 137.37 38.17 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.557 1.143 . . . . 0.0 111.191 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -54.33 -46.24 72.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.2 1.0 . . . . 0.0 112.897 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.37 -39.34 81.83 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.205 -0.934 . . . . 0.0 112.246 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.02 -44.39 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.439 -0.788 . . . . 0.0 111.74 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.06 -45.43 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.391 0.996 . . . . 0.0 111.518 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.37 -33.28 75.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.314 1.415 . . . . 0.0 112.592 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -64.1 -44.65 91.66 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.85 0.86 . . . . 0.0 111.042 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.56 -40.89 89.24 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.258 -0.901 . . . . 0.0 111.415 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.23 -36.17 77.12 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.441 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.31 -31.16 72.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.131 0.972 . . . . 0.0 112.444 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.65 -48.07 17.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 111.711 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 p -168.54 146.51 3.49 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.064 1.346 . . . . 0.0 111.378 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.74 64.73 8.73 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.046 3.164 . . . . 0.0 111.612 -173.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -141.23 158.05 44.42 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.47 1.508 . . . . 0.0 112.042 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.84 135.63 89.96 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 124.746 1.218 . . . . 0.0 111.571 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.98 -13.92 41.73 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.778 3.652 . . . . 0.0 115.251 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -130.64 -24.92 2.42 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -107.36 -19.64 13.52 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.39 1.076 . . . . 0.0 113.451 -173.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 64.76 11.1 6.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.041 2.136 . . . . 0.0 115.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.54 158.53 20.82 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.357 -0.839 . . . . 0.0 110.894 165.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -56.16 134.31 52.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.037 0.935 . . . . 0.0 110.743 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 131.81 10.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.095 0.958 . . . . 0.0 110.597 -173.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -148.52 177.86 9.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.947 . . . . 0.0 112.521 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.58 -25.97 54.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.171 1.789 . . . . 0.0 113.276 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.7 p -76.92 -15.22 59.74 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtt -96.84 -1.57 45.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.578 1.551 . . . . 0.0 113.025 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -90.54 152.51 20.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.894 1.678 . . . . 0.0 112.27 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -158.4 116.33 1.76 Allowed Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.428 1.491 . . . . 0.0 109.778 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -57.58 139.14 89.27 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.993 2.462 . . . . 0.0 113.242 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.35 115.59 65.0 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.732 1.213 . . . . 0.0 110.626 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.05 -35.19 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.007 2.471 . . . . 0.0 113.178 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.07 -19.47 64.88 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.11 -46.13 7.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.226 1.01 . . . . 0.0 111.693 169.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -55.86 -43.42 77.08 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.39 0.996 . . . . 0.0 112.677 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.79 -35.93 82.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.69 1.196 . . . . 0.0 112.426 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -73.42 -41.72 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.816 0.846 . . . . 0.0 112.05 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.63 -48.66 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.321 1.048 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.94 -32.49 74.02 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.66 0.663 . . . . 0.0 112.651 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.07 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.458 0.703 . . . . 0.0 111.66 173.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.98 -44.11 85.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.604 0.762 . . . . 0.0 112.113 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.81 -35.85 81.24 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.283 -0.886 . . . . 0.0 112.219 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.71 81.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.682 0.674 . . . . 0.0 112.1 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 123.957 0.903 . . . . 0.0 112.376 173.421 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -61.46 -15.06 33.85 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.451 -1.406 . . . . 0.0 113.638 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.48 -5.61 56.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.223 2.209 . . . . 0.0 113.538 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 142.4 96.87 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 120.75 -1.219 . . . . 0.0 113.213 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -69.54 156.26 64.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.985 2.457 . . . . 0.0 110.665 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.72 -25.74 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.69 -16.57 62.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.596 1.158 . . . . 0.0 113.928 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -91.57 -5.86 53.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.723 1.209 . . . . 0.0 113.106 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -104.32 145.55 30.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.83 134.15 34.27 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.981 168.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.97 -11.83 32.84 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.816 2.344 . . . . 0.0 115.763 -172.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -77.43 -55.21 5.58 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.318 1.417 . . . . 0.0 110.568 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.0 mmt -91.45 -13.59 32.02 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 66.7 15.26 10.08 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.014 2.126 . . . . 0.0 114.085 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -134.77 167.85 20.1 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.113 1.765 . . . . 0.0 111.703 -173.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.59 121.9 12.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.26 1.824 . . . . 0.0 111.463 -170.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -78.25 -38.96 41.65 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 p 67.36 -27.73 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 128.965 2.906 . . . . 0.0 115.03 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.71 80.53 40.28 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.193 1.797 . . . . 0.0 110.648 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.41 135.52 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.445 2.763 . . . . 0.0 111.043 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.81 134.04 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.33 1.852 . . . . 0.0 109.221 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.52 133.94 34.71 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.36 1.064 . . . . 0.0 110.715 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -82.94 163.71 49.83 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.01 1.724 . . . . 0.0 110.183 169.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.48 -21.96 59.61 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.375 2.716 . . . . 0.0 113.409 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 p -69.33 -12.15 61.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.839 1.656 . . . . 0.0 114.224 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.17 -6.61 82.5 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.021 1.772 . . . . 0.0 114.133 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -65.11 134.7 54.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.303 1.441 . . . . 0.0 110.499 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.56 137.54 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.455 1.102 . . . . 0.0 109.834 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.6 ttm -148.06 161.13 42.02 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.697 1.599 . . . . 0.0 110.876 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.3 134.48 46.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.726 . . . . 0.0 112.429 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -49.86 -54.75 17.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.039 1.736 . . . . 0.0 113.168 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.8 m -68.71 -36.23 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.311 0.645 . . . . 0.0 112.061 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.7 mt -70.14 -45.22 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.96 -1.087 . . . . 0.0 111.375 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -65.44 -41.07 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 120.222 1.374 . . . . 0.0 112.612 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.44 -32.73 71.85 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.68 1.127 . . . . 0.0 112.486 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -70.62 -34.54 72.21 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.6 0.636 . . . . 0.0 111.552 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -72.18 -39.43 68.66 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.735 0.698 . . . . 0.0 112.043 173.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.33 -36.61 68.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.588 1.155 . . . . 0.0 113.176 172.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.91 -30.25 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.197 0.999 . . . . 0.0 112.343 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.47 -50.77 7.45 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.423 1.089 . . . . 0.0 112.089 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.24 147.41 19.6 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.58 1.552 . . . . 0.0 111.909 -170.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -81.16 50.52 3.58 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.266 3.311 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -145.39 164.45 31.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.964 1.705 . . . . 0.0 112.593 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.27 132.84 87.71 Favored Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.147 2.179 . . . . 0.0 111.635 173.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -65.94 -18.71 57.78 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.604 3.536 . . . . 0.0 115.31 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -114.26 -43.42 3.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.481 1.112 . . . . 0.0 112.273 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -99.13 -22.67 15.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 -169.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 69.54 7.85 6.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 127.463 2.305 . . . . 0.0 114.585 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -58.8 151.93 20.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.755 1.222 . . . . 0.0 110.529 162.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.07 144.18 54.05 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.813 -0.555 . . . . 0.0 112.063 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.72 138.23 15.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.435 1.494 . . . . 0.0 110.341 -170.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.0 m -130.13 151.34 50.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.477 1.511 . . . . 0.0 110.163 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -40.83 64.24 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.158 1.383 . . . . 0.0 112.822 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -66.93 -13.12 61.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.863 1.265 . . . . 0.0 114.162 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mtt -91.97 -8.87 44.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.136 1.374 . . . . 0.0 112.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.81 150.25 24.68 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.231 1.412 . . . . 0.0 112.143 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -153.99 124.36 3.4 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.716 1.206 . . . . 0.0 110.808 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -56.25 141.54 88.3 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.75 2.966 . . . . 0.0 113.186 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 t -96.51 109.45 48.03 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.555 1.142 . . . . 0.0 110.643 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.49 -35.4 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.397 2.065 . . . . 0.0 112.435 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.63 -17.93 64.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt -94.79 -42.97 8.45 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.211 1.004 . . . . 0.0 111.685 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.78 -40.85 94.13 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.362 0.983 . . . . 0.0 112.409 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.39 -34.83 79.22 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.504 1.121 . . . . 0.0 112.132 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -73.34 -40.22 64.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.132 0.573 . . . . 0.0 112.328 174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mt -59.82 -51.25 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.061 0.944 . . . . 0.0 110.903 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.31 -32.25 73.55 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.45 79.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.406 0.682 . . . . 0.0 111.662 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -62.45 -46.9 86.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.367 0.667 . . . . 0.0 112.055 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.7 mtp -58.75 -40.0 82.57 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.84 0.746 . . . . 0.0 112.132 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.13 -39.38 89.81 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.526 0.73 . . . . 0.0 112.303 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.969 0.804 . . . . 0.0 112.01 172.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -60.37 -17.76 45.73 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.621 -1.3 . . . . 0.0 112.464 164.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.94 -8.62 54.38 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.34 1.856 . . . . 0.0 113.904 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 153.0 90.22 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 124.699 1.199 . . . . 0.0 113.063 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -67.54 157.65 60.79 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.803 3.002 . . . . 0.0 111.276 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.62 -24.26 65.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.06 -16.54 61.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.829 1.252 . . . . 0.0 114.131 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -97.28 -19.61 18.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.632 1.573 . . . . 0.0 112.592 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -99.92 127.68 46.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.188 0.995 . . . . 0.0 111.73 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.03 135.2 58.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.592 0.757 . . . . 0.0 110.182 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -73.65 -14.02 24.63 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.654 2.236 . . . . 0.0 115.653 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -91.65 -39.0 12.1 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.066 1.303 . . . . 0.0 110.867 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.3 ttt -67.46 -32.73 73.78 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.203 1.001 . . . . 0.0 113.247 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 73.78 -2.87 2.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.753 2.821 . . . . 0.0 113.751 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -144.83 -177.2 5.4 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.115 1.766 . . . . 0.0 110.966 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.16 122.69 14.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.294 1.437 . . . . 0.0 111.833 -172.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.43 -33.33 74.94 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 m 72.23 -42.27 0.53 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.913 2.485 . . . . 0.0 112.346 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.38 86.4 33.48 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.207 2.203 . . . . 0.0 110.519 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -73.16 135.85 23.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.829 3.02 . . . . 0.0 112.126 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.57 129.1 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.115 1.366 . . . . 0.0 110.089 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -89.39 140.61 29.34 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.801 1.64 . . . . 0.0 111.859 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.04 158.26 32.11 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.649 2.38 . . . . 0.0 109.552 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.03 -21.55 56.26 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.796 2.997 . . . . 0.0 113.307 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.0 p -68.86 -11.27 60.35 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.332 1.453 . . . . 0.0 114.567 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.2 74.11 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.363 1.459 . . . . 0.0 113.737 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -72.21 147.79 46.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.694 1.197 . . . . 0.0 109.74 173.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -119.04 133.63 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.716 1.206 . . . . 0.0 109.456 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 tpp -125.16 162.61 24.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.737 2.015 . . . . 0.0 111.758 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.42 133.0 50.37 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 163.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -52.08 -50.19 62.05 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.378 1.471 . . . . 0.0 113.716 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -69.37 -38.55 78.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.525 -0.734 . . . . 0.0 111.776 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.25 -44.37 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.026 -1.046 . . . . 0.0 111.311 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.69 -45.29 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.537 1.062 . . . . 0.0 111.387 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.85 -35.52 78.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.2 0.909 . . . . 0.0 112.158 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -35.53 80.19 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.728 0.695 . . . . 0.0 112.165 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -69.06 -46.15 68.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.921 0.782 . . . . 0.0 111.256 173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.94 -34.82 68.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.106 1.362 . . . . 0.0 113.285 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -33.22 66.78 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 113.129 172.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -89.59 -52.17 5.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.261 1.025 . . . . 0.0 112.164 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -149.29 139.98 13.82 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.61 1.564 . . . . 0.0 110.831 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.85 71.84 6.4 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.539 2.826 . . . . 0.0 110.705 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -143.77 156.44 44.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.556 1.542 . . . . 0.0 112.459 -173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -68.15 129.95 92.75 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.21 1.004 . . . . 0.0 110.75 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.57 -18.39 59.12 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.226 2.617 . . . . 0.0 115.194 -171.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -116.23 -36.66 3.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.479 1.112 . . . . 0.0 113.139 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -96.92 -24.8 15.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.724 1.21 . . . . 0.0 112.887 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 64.73 17.47 10.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.957 2.103 . . . . 0.0 114.354 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -63.95 163.11 12.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.563 0.745 . . . . 0.0 110.228 158.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.8 ttp -63.6 142.77 58.27 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.363 0.529 . . . . 0.0 111.311 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.87 112.87 3.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.461 1.505 . . . . 0.0 109.9 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 m -102.88 150.72 23.23 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.291 1.436 . . . . 0.0 110.503 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.24 -28.17 64.64 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.259 1.024 . . . . 0.0 113.572 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 -16.7 64.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.963 1.305 . . . . 0.0 113.564 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.1 mmt -91.05 -5.98 54.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.689 1.195 . . . . 0.0 113.526 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -81.86 149.82 28.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.075 1.35 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -156.01 118.0 2.27 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.741 1.216 . . . . 0.0 110.852 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -57.02 139.14 89.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.823 3.015 . . . . 0.0 112.32 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.0 t -95.48 111.96 57.21 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.333 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -38.46 0.91 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.613 2.209 . . . . 0.0 112.153 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.08 -21.99 65.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.7 mt -89.19 -45.87 9.23 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.799 0.84 . . . . 0.0 111.149 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -56.63 -43.78 80.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.081 1.31 . . . . 0.0 112.692 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.15 -32.83 73.37 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.196 0.998 . . . . 0.0 112.868 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -73.43 -41.54 63.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.997 0.519 . . . . 0.0 112.031 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -60.93 -50.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.094 1.358 . . . . 0.0 111.444 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.13 -32.02 73.44 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.65 68.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.66 0.784 . . . . 0.0 111.265 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.34 -43.03 98.91 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.734 -0.604 . . . . 0.0 111.909 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mtp -59.64 -41.12 89.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.72 0.808 . . . . 0.0 112.244 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -59.82 -47.07 87.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.524 0.602 . . . . 0.0 111.629 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.476 0.825 0 CA-C-N 119.124 0.875 . . . . 0.0 112.603 176.631 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.553 1.06 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 m -59.18 -23.34 62.16 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.843 -1.161 . . . . 0.0 113.763 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.24 -3.4 52.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.183 1.793 . . . . 0.0 114.059 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 144.2 97.57 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.018 -1.051 . . . . 0.0 112.716 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.49 155.23 55.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.516 2.811 . . . . 0.0 110.42 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.7 -24.73 67.81 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.78 -18.12 62.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.313 1.045 . . . . 0.0 113.814 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -96.92 -3.38 41.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.574 1.15 . . . . 0.0 113.205 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.35 143.59 35.42 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.266 1.026 . . . . 0.0 111.705 -172.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.06 134.81 23.27 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.284 1.034 . . . . 0.0 110.194 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -72.49 -14.17 27.71 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.451 2.767 . . . . 0.0 115.54 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -83.78 -45.78 12.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.943 1.247 . . . . 0.0 109.134 168.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.4 ttt -66.54 -33.61 76.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.963 1.305 . . . . 0.0 113.831 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 74.84 2.98 4.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.579 2.751 . . . . 0.0 113.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -151.66 -177.36 6.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.65 1.98 . . . . 0.0 111.025 -174.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.58 8.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.097 1.759 . . . . 0.0 111.185 -173.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -68.77 -35.0 76.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 75.39 -40.78 0.43 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.685 2.394 . . . . 0.0 112.155 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -119.71 84.57 31.25 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.921 2.088 . . . . 0.0 110.595 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.56 134.57 24.53 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.874 2.383 . . . . 0.0 111.341 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.92 130.69 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.805 1.642 . . . . 0.0 109.682 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.78 140.84 29.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.254 1.022 . . . . 0.0 111.693 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.73 162.87 32.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.996 2.118 . . . . 0.0 111.147 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.68 -22.6 69.95 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.307 2.671 . . . . 0.0 113.077 174.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 p -72.6 -8.68 56.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.031 1.333 . . . . 0.0 114.029 172.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.47 -9.5 77.08 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.004 1.764 . . . . 0.0 113.875 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.5 m -68.42 144.34 54.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.005 1.722 . . . . 0.0 110.635 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -102.48 140.96 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.707 1.203 . . . . 0.0 109.84 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.3 ttm -144.18 162.86 35.25 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.266 1.827 . . . . 0.0 111.354 -175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.41 131.79 45.33 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.345 0.658 . . . . 0.0 112.092 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -49.25 -55.67 11.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.261 1.824 . . . . 0.0 113.167 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -68.48 -36.26 78.71 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.252 -0.905 . . . . 0.0 112.324 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.97 -42.64 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.153 0.981 . . . . 0.0 111.858 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.1 -43.67 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 120.432 1.469 . . . . 0.0 112.26 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.5 -33.32 73.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.506 1.048 . . . . 0.0 112.277 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -64.95 -43.29 93.19 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.842 0.857 . . . . 0.0 110.639 172.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -68.4 -41.35 80.59 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.587 -0.696 . . . . 0.0 111.946 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.49 -35.87 72.89 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.583 1.153 . . . . 0.0 113.388 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.39 -26.28 68.39 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.974 0.909 . . . . 0.0 112.753 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.65 -48.23 7.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.602 1.161 . . . . 0.0 112.418 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -151.55 145.08 17.52 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.514 1.526 . . . . 0.0 111.509 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.39 57.11 6.32 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.249 3.299 . . . . 0.0 111.368 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 p -147.7 162.47 39.1 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.839 1.656 . . . . 0.0 112.443 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.78 135.11 85.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.203 1.801 . . . . 0.0 112.064 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.59 -23.36 64.04 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.634 2.89 . . . . 0.0 115.764 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -105.33 -42.92 5.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.696 1.199 . . . . 0.0 112.598 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -103.37 -24.26 13.5 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 113.271 -170.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 68.79 15.42 8.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.429 1.892 . . . . 0.0 114.38 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.32 158.83 34.27 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.316 0.646 . . . . 0.0 110.9 161.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -64.0 142.29 58.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.914 0.886 . . . . 0.0 112.591 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.5 140.88 17.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.667 1.587 . . . . 0.0 108.936 -172.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.6 p -134.03 152.3 51.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.537 1.135 . . . . 0.0 112.505 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.56 -28.82 65.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 113.93 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.65 -18.19 63.56 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.868 1.267 . . . . 0.0 113.462 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.8 mmt -98.95 -3.33 35.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.385 1.474 . . . . 0.0 113.538 -175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.58 149.21 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.11 1.364 . . . . 0.0 111.903 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -157.84 131.45 4.8 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.495 1.518 . . . . 0.0 110.153 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.17 140.97 42.39 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.813 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.39 114.83 62.49 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 123.794 0.837 . . . . 0.0 110.953 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.35 -38.65 0.7 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.804 2.336 . . . . 0.0 113.095 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.19 -20.56 64.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.78 -45.59 8.33 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.394 1.078 . . . . 0.0 111.22 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -61.29 -37.81 84.55 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.764 1.165 . . . . 0.0 112.832 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.21 -34.94 77.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.685 1.194 . . . . 0.0 112.348 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -72.95 -40.24 65.52 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.488 -0.758 . . . . 0.0 111.744 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.57 -49.84 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.61 1.564 . . . . 0.0 111.536 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -31.61 72.29 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.696 0.68 . . . . 0.0 112.519 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.88 76.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.543 0.737 . . . . 0.0 111.846 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.63 -45.51 82.78 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.314 0.646 . . . . 0.0 112.317 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.2 mtm -58.73 -35.6 72.96 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.364 -0.835 . . . . 0.0 112.571 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -61.98 -38.31 88.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.608 0.763 . . . . 0.0 111.918 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 CA--C 1.544 0.746 0 CA-C-N 118.796 0.725 . . . . 0.0 112.608 175.237 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -64.87 -17.02 63.93 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.374 -1.454 . . . . 0.0 112.897 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.39 -8.49 54.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.37 1.868 . . . . 0.0 113.612 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 147.62 78.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 124.47 1.108 . . . . 0.0 113.044 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.16 157.33 57.7 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.954 3.103 . . . . 0.0 111.138 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -57.84 -28.74 64.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.545 1.138 . . . . 0.0 113.595 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.13 -16.8 61.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.605 1.162 . . . . 0.0 114.044 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -98.53 -5.22 32.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.613 1.165 . . . . 0.0 112.889 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -108.04 148.28 29.98 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.925 0.89 . . . . 0.0 112.9 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.2 162.28 64.73 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.682 173.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -91.92 -3.55 4.05 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.199 3.266 . . . . 0.0 116.176 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 tp -132.9 -53.04 0.92 Allowed 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 120.487 1.494 . . . . 0.0 113.566 -167.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.12 -25.46 62.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.606 1.563 . . . . 0.0 111.999 168.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 t0 59.38 55.46 4.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.973 2.509 . . . . 0.0 113.294 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 t -150.23 -178.43 6.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.956 1.702 . . . . 0.0 109.867 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.07 121.6 13.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.646 1.178 . . . . 0.0 109.437 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -72.56 -35.5 68.0 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 m 71.5 -31.7 0.23 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.016 2.527 . . . . 0.0 113.496 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -127.26 81.89 69.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 127.393 2.277 . . . . 0.0 110.188 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.17 136.07 26.17 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.186 2.59 . . . . 0.0 111.296 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -127.61 136.17 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.339 1.456 . . . . 0.0 110.45 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -88.18 125.84 34.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.475 2.31 . . . . 0.0 109.707 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -90.96 161.35 35.76 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.638 1.575 . . . . 0.0 109.747 168.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.14 -22.09 67.51 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 123.105 2.537 . . . . 0.0 114.044 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -73.7 -9.06 58.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.293 1.437 . . . . 0.0 114.21 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.89 1.4 79.96 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.781 1.658 . . . . 0.0 113.72 -172.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.6 m -69.12 140.07 54.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.928 1.291 . . . . 0.0 109.949 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.75 135.82 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.526 1.13 . . . . 0.0 109.514 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.2 ttm -142.25 160.9 39.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.061 1.744 . . . . 0.0 111.631 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -74.49 127.81 33.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.107 1.363 . . . . 0.0 110.746 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -48.61 -43.47 36.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 112.778 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -69.04 -31.17 69.76 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.471 -0.768 . . . . 0.0 112.352 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.59 -43.8 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.341 -0.849 . . . . 0.0 110.427 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.34 -40.38 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.796 0.725 . . . . 0.0 112.003 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.61 -37.25 79.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.395 0.998 . . . . 0.0 112.189 175.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -59.27 -42.87 92.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.352 0.661 . . . . 0.0 110.428 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -71.84 -41.66 67.88 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.72 -36.68 72.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.424 1.09 . . . . 0.0 112.989 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.06 -20.99 65.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.312 1.045 . . . . 0.0 113.316 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.17 -47.84 6.75 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.702 1.201 . . . . 0.0 112.115 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -154.69 150.75 22.18 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.534 1.534 . . . . 0.0 112.094 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.25 56.99 6.26 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.197 3.265 . . . . 0.0 111.512 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 p -140.68 158.42 44.0 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.158 1.783 . . . . 0.0 112.384 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.58 133.37 86.86 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.682 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.42 -20.17 54.79 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.619 2.879 . . . . 0.0 115.533 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -122.56 -34.07 3.31 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 113.212 -172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -95.81 -25.25 16.11 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.626 1.17 . . . . 0.0 112.744 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 65.13 16.63 10.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.021 2.128 . . . . 0.0 113.667 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.51 162.89 14.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.418 0.687 . . . . 0.0 110.637 159.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ttt -63.83 141.61 58.71 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.716 -0.615 . . . . 0.0 110.95 166.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -153.29 132.21 12.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.721 1.609 . . . . 0.0 109.428 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -127.14 152.93 46.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.204 1.402 . . . . 0.0 108.995 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.47 -22.85 35.09 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -64.66 -21.46 66.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.118 1.367 . . . . 0.0 113.871 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -91.76 -5.83 52.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.106 1.362 . . . . 0.0 112.683 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.73 153.91 20.34 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.925 1.29 . . . . 0.0 112.172 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.81 131.97 5.46 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.744 1.617 . . . . 0.0 109.1 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.85 142.68 39.63 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.134 2.556 . . . . 0.0 110.986 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.97 110.65 47.24 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 124.155 0.982 . . . . 0.0 110.719 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 -34.93 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.58 -44.44 8.21 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.982 0.913 . . . . 0.0 111.329 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -60.23 -37.88 81.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.441 1.019 . . . . 0.0 112.643 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.07 -35.25 79.41 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.427 1.091 . . . . 0.0 112.362 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.97 -42.19 63.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.109 0.564 . . . . 0.0 111.603 173.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.0 mt -60.58 -49.31 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.45 -33.01 74.94 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.031 0.832 . . . . 0.0 112.343 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.9 79.48 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.267 0.627 . . . . 0.0 111.494 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -65.59 -44.38 86.83 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.524 -0.735 . . . . 0.0 111.858 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.32 -43.25 99.18 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.645 0.778 . . . . 0.0 111.629 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -56.59 -47.65 79.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.867 0.758 . . . . 0.0 111.346 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 177.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -61.46 -17.31 53.87 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.354 -1.466 . . . . 0.0 112.987 171.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -75.3 -9.03 58.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.021 1.728 . . . . 0.0 113.724 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.07 142.55 98.22 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.825 0.85 . . . . 0.0 112.327 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -70.94 157.12 58.94 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.711 2.941 . . . . 0.0 111.585 177.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.42 -26.11 66.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.568 1.147 . . . . 0.0 114.016 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.45 -15.79 62.35 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.44 1.096 . . . . 0.0 113.945 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -100.52 -0.55 37.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.161 1.384 . . . . 0.0 112.518 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -116.01 145.8 42.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.013 1.325 . . . . 0.0 112.166 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -95.28 135.06 23.61 Favored Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 123.862 0.865 . . . . 0.0 110.931 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.92 -11.35 29.21 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.544 2.163 . . . . 0.0 115.497 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.21 -58.93 2.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.874 1.67 . . . . 0.0 109.915 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.4 mmt -85.55 -16.67 38.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.88 24.88 14.79 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 113.622 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -140.84 169.99 16.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.76 1.624 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 120.14 10.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.543 1.537 . . . . 0.0 111.013 -170.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -77.54 -27.46 51.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -171.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.5 p 57.18 -20.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.229 3.412 . . . . 0.0 117.294 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -128.62 77.19 77.8 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.339 2.255 . . . . 0.0 109.733 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.79 135.0 27.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.264 2.643 . . . . 0.0 110.374 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -131.34 133.82 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.142 1.777 . . . . 0.0 109.796 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -88.8 133.57 34.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.0 mt -94.02 160.31 32.56 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.755 2.022 . . . . 0.0 110.345 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.4 -21.55 60.67 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.215 2.61 . . . . 0.0 113.514 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -70.04 -10.48 58.83 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.994 1.317 . . . . 0.0 114.286 170.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.42 -6.23 82.39 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.9 1.714 . . . . 0.0 113.628 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -68.84 143.9 54.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.714 1.606 . . . . 0.0 110.103 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.5 137.31 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.451 1.101 . . . . 0.0 109.742 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 tpp -133.74 157.62 45.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.016 2.126 . . . . 0.0 110.453 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -71.3 125.44 26.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 110.078 167.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -43.57 -50.79 7.16 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.785 1.634 . . . . 0.0 113.236 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -70.29 -30.35 67.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 -173.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.27 -41.45 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.799 0.839 . . . . 0.0 110.664 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.12 -44.19 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.488 1.04 . . . . 0.0 111.953 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.5 -31.61 72.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.677 1.126 . . . . 0.0 112.699 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -68.11 -33.52 74.67 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.324 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -75.77 -43.05 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.477 -0.764 . . . . 0.0 111.779 172.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.87 -35.89 73.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.518 1.127 . . . . 0.0 113.353 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.3 tp -55.69 -32.49 63.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 112.994 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.47 -50.46 5.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.391 1.077 . . . . 0.0 112.231 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -151.11 147.78 21.32 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.973 1.309 . . . . 0.0 112.046 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -80.51 59.63 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.043 3.162 . . . . 0.0 111.039 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -141.26 153.32 45.16 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.595 1.158 . . . . 0.0 113.68 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 140.16 94.48 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 125.269 1.428 . . . . 0.0 111.742 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.32 -18.56 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.663 2.909 . . . . 0.0 116.268 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -121.42 -23.47 5.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -174.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -120.92 -24.68 5.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 0.0 112.933 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 67.05 22.61 9.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.049 1.74 . . . . 0.0 113.645 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.75 166.92 6.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.187 0.595 . . . . 0.0 110.541 159.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tpt -58.18 137.86 56.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.282 1.033 . . . . 0.0 111.526 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 139.61 15.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 109.657 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 m -140.81 153.06 45.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.191 1.396 . . . . 0.0 109.815 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.83 -23.14 60.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 p -74.11 -15.28 61.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.087 1.355 . . . . 0.0 113.837 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.6 mtt -86.37 -10.35 54.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.184 1.394 . . . . 0.0 113.314 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.33 151.91 23.67 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.898 1.679 . . . . 0.0 112.549 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -155.88 123.27 2.76 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.114 1.366 . . . . 0.0 110.169 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.2 139.46 90.08 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.825 3.017 . . . . 0.0 113.133 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -90.99 113.58 58.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.769 1.227 . . . . 0.0 110.332 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -76.28 -39.53 0.81 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.622 2.215 . . . . 0.0 112.28 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.98 -20.27 65.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -92.06 -45.27 8.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.939 0.896 . . . . 0.0 111.53 170.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.15 -40.03 94.61 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.717 1.144 . . . . 0.0 112.48 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -67.29 -32.1 72.86 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.393 1.077 . . . . 0.0 112.536 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -73.01 -41.77 63.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.651 0.659 . . . . 0.0 112.532 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.75 -46.87 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.684 1.193 . . . . 0.0 111.947 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.64 -32.68 74.38 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.95 71.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.612 0.765 . . . . 0.0 111.7 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -64.88 -47.04 79.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.033 0.933 . . . . 0.0 112.22 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.0 mtm -58.8 -40.18 83.33 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.982 0.81 . . . . 0.0 111.662 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -64.59 -41.92 95.92 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.126 0.57 . . . . 0.0 112.009 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.929 0.786 . . . . 0.0 112.663 176.482 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 CA--C 1.55 0.961 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -62.39 -21.35 65.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.491 -1.381 . . . . 0.0 113.539 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -79.02 -4.93 52.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.756 1.622 . . . . 0.0 114.553 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 134.65 91.49 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-N 119.186 0.903 . . . . 0.0 112.272 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -70.08 157.19 60.56 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.524 2.816 . . . . 0.0 110.902 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.65 -28.73 67.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.88 -15.38 62.62 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -92.81 -9.25 41.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.347 1.059 . . . . 0.0 112.873 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -102.12 148.63 25.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.846 1.258 . . . . 0.0 112.208 -173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -100.61 134.2 20.75 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.041 0.936 . . . . 0.0 110.71 167.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -69.55 -10.78 29.6 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.913 2.409 . . . . 0.0 116.162 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.95 -48.82 13.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.094 1.77 . . . . 0.0 111.375 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.42 -19.24 31.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.7 t70 67.7 13.85 9.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.372 2.269 . . . . 0.0 113.617 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t -146.79 -179.61 6.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.04 1.736 . . . . 0.0 110.971 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 120.19 7.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.409 1.884 . . . . 0.0 112.397 -168.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -73.47 -34.59 65.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m 71.87 -39.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.293 2.637 . . . . 0.0 112.7 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -118.64 84.13 23.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.545 2.338 . . . . 0.0 110.808 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.11 135.13 22.41 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.56 2.84 . . . . 0.0 111.952 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.74 129.45 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.233 1.813 . . . . 0.0 109.828 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -90.1 135.82 33.42 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.938 2.095 . . . . 0.0 112.06 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.18 160.8 24.87 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.885 2.074 . . . . 0.0 110.143 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -69.31 -21.35 35.71 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.865 3.043 . . . . 0.0 113.251 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 p -66.58 -11.57 53.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.477 1.511 . . . . 0.0 113.785 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.94 76.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.756 1.646 . . . . 0.0 113.822 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -65.94 141.88 58.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.477 1.511 . . . . 0.0 110.078 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -110.77 136.62 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.484 1.113 . . . . 0.0 108.986 168.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.3 ttm -138.68 159.64 41.6 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.456 1.902 . . . . 0.0 110.914 -170.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.79 125.34 25.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.601 1.16 . . . . 0.0 110.949 171.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -46.69 -54.22 10.08 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.295 1.838 . . . . 0.0 112.568 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 m -69.35 -36.14 76.58 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.555 -0.716 . . . . 0.0 111.376 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.15 -47.57 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.58 0.627 . . . . 0.0 110.77 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.17 -43.91 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.525 1.057 . . . . 0.0 112.367 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.47 -33.39 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.82 1.191 . . . . 0.0 112.249 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.97 -44.36 92.96 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.662 0.665 . . . . 0.0 110.364 172.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -66.2 -41.39 90.27 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.677 -0.639 . . . . 0.0 112.038 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -35.6 71.7 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.041 0.936 . . . . 0.0 113.521 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.7 -22.07 66.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.872 0.869 . . . . 0.0 113.339 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.48 -50.4 5.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.546 1.138 . . . . 0.0 112.108 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.2 m -150.26 143.36 16.47 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.373 1.469 . . . . 0.0 111.725 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -79.97 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.04 3.16 . . . . 0.0 110.965 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -143.79 158.8 43.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.491 1.516 . . . . 0.0 112.622 -169.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.17 126.5 91.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.808 1.243 . . . . 0.0 110.411 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -60.98 -24.71 80.13 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.851 3.034 . . . . 0.0 115.328 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.12 -42.65 5.03 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.168 0.987 . . . . 0.0 112.881 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -93.87 -26.14 17.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.0 0.92 . . . . 0.0 112.661 -172.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 75.65 4.93 3.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.998 2.519 . . . . 0.0 114.373 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -62.32 160.91 12.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.751 0.705 . . . . 0.0 110.778 166.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 90.2 mtp -69.32 148.9 49.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.3 0.572 . . . . 0.0 111.678 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -161.8 137.65 7.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.789 1.636 . . . . 0.0 108.469 -170.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.9 p -130.49 163.2 27.53 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.776 1.23 . . . . 0.0 112.748 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.84 -27.23 50.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.465 1.506 . . . . 0.0 114.164 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -75.42 -13.61 60.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.856 1.262 . . . . 0.0 113.832 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.0 mtt -92.47 -7.15 48.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.339 1.456 . . . . 0.0 113.303 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.86 154.04 21.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.255 1.422 . . . . 0.0 112.559 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -161.56 126.71 2.17 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.429 1.492 . . . . 0.0 110.001 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -71.68 141.62 38.12 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.028 2.485 . . . . 0.0 111.776 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.55 117.86 67.78 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.631 0.772 . . . . 0.0 110.457 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.53 -39.86 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 113.247 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.29 -33.26 75.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.975 0.807 . . . . 0.0 112.439 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.19 -46.03 24.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.657 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.22 -42.24 98.27 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.981 1.264 . . . . 0.0 112.251 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.78 -34.75 78.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.464 1.105 . . . . 0.0 111.842 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.6 -42.08 64.92 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.711 -0.618 . . . . 0.0 112.435 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.69 -50.98 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.007 1.323 . . . . 0.0 111.472 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -64.32 -32.48 74.1 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.9 -45.07 79.12 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.404 0.682 . . . . 0.0 111.617 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.01 -39.87 87.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.85 0.86 . . . . 0.0 112.344 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.9 mtp -61.3 -40.34 93.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.916 0.887 . . . . 0.0 111.666 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -40.04 88.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.364 0.665 . . . . 0.0 111.504 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 124.035 0.934 . . . . 0.0 112.516 175.798 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.8 m -67.23 -17.91 65.01 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.428 -1.42 . . . . 0.0 112.213 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.87 -8.68 58.41 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.256 1.822 . . . . 0.0 113.596 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.25 143.92 94.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 121.051 -1.031 . . . . 0.0 111.93 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.57 156.93 57.11 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.475 2.783 . . . . 0.0 111.243 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.83 -20.4 65.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.346 1.059 . . . . 0.0 113.716 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -18.89 61.28 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.078 0.951 . . . . 0.0 113.406 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -97.34 -8.55 29.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 113.293 173.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -108.79 136.87 47.64 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.675 1.19 . . . . 0.0 112.098 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.97 138.31 49.71 Favored Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.407 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.15 -15.19 45.75 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.957 2.438 . . . . 0.0 116.146 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -84.3 -60.44 2.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.636 1.562 . . . . 0.0 110.896 172.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -87.4 -12.83 45.09 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 68.64 -1.62 1.91 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.967 2.507 . . . . 0.0 114.393 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -104.78 166.29 10.49 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.246 1.818 . . . . 0.0 111.862 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.63 118.9 8.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.626 1.57 . . . . 0.0 110.006 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -70.64 -31.2 68.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p 59.66 -29.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 130.075 3.35 . . . . 0.0 116.409 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.51 80.64 30.66 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 127.398 2.279 . . . . 0.0 109.6 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.82 134.81 22.45 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.128 2.552 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -131.38 132.5 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.411 1.484 . . . . 0.0 109.694 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -88.95 135.94 33.28 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.66 1.584 . . . . 0.0 110.736 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.2 161.23 33.55 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.863 2.065 . . . . 0.0 110.407 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.52 -22.28 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.425 2.75 . . . . 0.0 113.265 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -71.58 -8.52 54.52 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.258 1.423 . . . . 0.0 114.21 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -11.38 71.76 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.9 1.714 . . . . 0.0 113.877 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 m -67.52 146.6 53.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.417 1.887 . . . . 0.0 110.19 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.9 t -111.44 139.99 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.539 1.136 . . . . 0.0 110.079 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.6 tpp -140.61 162.97 34.11 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.987 2.115 . . . . 0.0 111.628 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.28 129.58 40.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.602 1.161 . . . . 0.0 112.16 172.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -49.85 -53.39 25.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.137 1.775 . . . . 0.0 113.803 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.15 -36.29 79.44 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.867 0.467 . . . . 0.0 111.602 -174.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -70.76 -45.16 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.706 0.803 . . . . 0.0 110.895 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.14 -46.04 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.402 1.001 . . . . 0.0 112.156 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.22 -32.72 73.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.277 0.944 . . . . 0.0 112.214 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.61 -34.57 74.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.869 0.758 . . . . 0.0 112.136 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -73.04 -35.61 66.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.157 0.89 . . . . 0.0 112.361 173.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.19 -35.42 73.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.388 0.994 . . . . 0.0 112.926 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.81 -19.59 64.29 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.996 0.918 . . . . 0.0 113.38 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -87.8 -43.32 11.94 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.831 1.252 . . . . 0.0 112.799 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -164.3 153.87 12.16 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.562 1.945 . . . . 0.0 111.006 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.25 58.45 6.64 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.328 3.352 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -147.96 158.5 44.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.766 1.627 . . . . 0.0 112.927 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.17 125.88 90.64 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 126.625 1.97 . . . . 0.0 111.579 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -59.35 -27.07 84.02 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.285 2.656 . . . . 0.0 115.319 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.16 -4.81 25.23 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -159.33 -17.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 74.99 25.56 1.37 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.353 1.861 . . . . 0.0 114.228 169.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -60.81 155.74 18.79 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.872 -0.518 . . . . 0.0 109.852 157.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -64.37 135.48 56.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 110.703 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.54 146.03 28.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.105 1.362 . . . . 0.0 109.977 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 m -144.89 154.07 42.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.963 1.705 . . . . 0.0 109.14 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.44 -23.51 57.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 p -74.28 -15.5 60.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.128 1.371 . . . . 0.0 113.798 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.3 mmt -86.87 -10.52 53.22 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.164 1.386 . . . . 0.0 112.928 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.29 154.33 21.33 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.399 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -156.38 125.32 3.03 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 109.971 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.67 138.48 35.01 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.429 2.086 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.3 t -91.0 117.25 67.78 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.608 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.7 -38.44 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.576 2.184 . . . . 0.0 113.031 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.34 -38.68 90.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.453 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.08 -44.03 61.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.593 -0.692 . . . . 0.0 111.519 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.05 -43.32 99.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.989 1.268 . . . . 0.0 112.268 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.66 -36.9 84.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.983 1.313 . . . . 0.0 111.861 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -73.04 -36.95 67.03 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.57 -0.706 . . . . 0.0 112.9 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.75 -48.82 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.538 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.79 -32.24 73.4 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.809 0.731 . . . . 0.0 112.332 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.03 86.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.754 0.706 . . . . 0.0 112.372 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -71.9 -48.07 48.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.784 0.834 . . . . 0.0 111.817 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 54.6 mtm -58.15 -33.27 69.01 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 113.411 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -54.82 -45.54 74.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.706 0.802 . . . . 0.0 111.325 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 CA--C 1.543 0.676 0 O-C-N 121.714 -0.616 . . . . 0.0 112.53 -178.136 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -60.56 -18.88 55.34 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.273 -1.517 . . . . 0.0 113.553 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -73.73 -8.65 56.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.369 1.468 . . . . 0.0 113.74 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 140.93 97.07 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.231 -0.918 . . . . 0.0 111.737 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.55 157.44 52.65 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.89 3.06 . . . . 0.0 111.439 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.97 -27.97 67.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.657 1.183 . . . . 0.0 113.367 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.16 -17.83 62.52 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -97.61 -0.5 45.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.937 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -117.4 148.92 41.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.449 1.1 . . . . 0.0 112.662 -171.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.24 149.48 65.92 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 123.764 0.825 . . . . 0.0 111.636 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.71 -37.73 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.062 2.508 . . . . 0.0 113.111 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.57 -43.76 18.25 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.185 0.994 . . . . 0.0 112.397 -172.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 97.5 mtp -90.67 -11.66 39.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t0 58.2 30.91 20.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.031 2.133 . . . . 0.0 114.411 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -126.24 164.02 21.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.865 1.266 . . . . 0.0 111.91 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.82 115.44 8.16 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.098 1.359 . . . . 0.0 108.345 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -72.37 -31.06 65.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -164.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 p 57.06 -19.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 129.911 3.285 . . . . 0.0 116.821 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -129.81 76.56 78.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.906 2.082 . . . . 0.0 110.463 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.8 135.8 26.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.728 2.952 . . . . 0.0 111.078 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -133.21 133.88 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.365 1.866 . . . . 0.0 109.55 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -90.38 142.76 27.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.72 162.0 32.43 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 127.709 2.403 . . . . 0.0 109.614 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.94 -22.39 42.23 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.538 2.826 . . . . 0.0 112.79 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 m -70.87 -6.66 39.88 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.63 79.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.066 1.793 . . . . 0.0 114.596 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -69.86 152.01 45.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.506 2.323 . . . . 0.0 111.739 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.8 142.31 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.714 1.206 . . . . 0.0 110.908 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 tpp -140.1 164.41 30.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.331 1.852 . . . . 0.0 111.432 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.3 137.5 53.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.386 1.074 . . . . 0.0 111.954 169.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -53.27 -47.96 68.69 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.791 1.236 . . . . 0.0 113.444 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -70.4 -39.48 74.47 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.703 -0.623 . . . . 0.0 112.626 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.06 -44.01 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.319 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -66.35 -43.16 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.162 0.892 . . . . 0.0 112.092 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.71 -33.75 72.93 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.807 1.185 . . . . 0.0 112.138 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -62.01 -41.91 98.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.98 0.912 . . . . 0.0 111.014 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -68.47 -42.88 78.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.137 0.426 . . . . 0.0 112.085 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.42 -34.61 77.1 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.83 -29.32 66.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.999 0.92 . . . . 0.0 112.572 171.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -88.88 -52.57 5.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.37 1.068 . . . . 0.0 112.33 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.0 m -150.81 141.17 14.44 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.315 1.446 . . . . 0.0 111.827 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -79.67 58.83 7.15 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 124.527 3.485 . . . . 0.0 111.593 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.7 p -141.7 160.49 40.08 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.162 2.185 . . . . 0.0 111.735 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.02 136.26 91.88 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 124.735 1.214 . . . . 0.0 111.721 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.95 -14.28 43.11 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.073 3.182 . . . . 0.0 115.358 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -129.46 -32.43 1.96 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -23.83 16.72 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.776 1.23 . . . . 0.0 112.276 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 67.12 10.98 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.147 2.179 . . . . 0.0 115.114 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.43 155.97 35.99 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.545 0.738 . . . . 0.0 110.035 164.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.93 141.63 57.9 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.336 0.516 . . . . 0.0 112.19 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -151.38 126.81 10.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.269 1.028 . . . . 0.0 110.758 -173.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -123.29 153.39 40.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.152 1.781 . . . . 0.0 109.651 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.73 -26.21 61.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 113.363 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 p -66.83 -16.57 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.947 1.299 . . . . 0.0 114.209 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mmt -87.66 -11.6 47.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.73 1.212 . . . . 0.0 113.43 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.2 mt -84.87 147.94 26.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.16 1.384 . . . . 0.0 112.43 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -160.58 131.73 3.86 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.531 1.533 . . . . 0.0 109.676 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.83 142.39 39.12 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.973 2.449 . . . . 0.0 111.481 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.89 113.96 62.49 Favored Pre-proline 0 N--CA 1.48 1.075 0 C-N-CA 124.569 1.148 . . . . 0.0 110.541 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.17 -37.54 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.895 2.396 . . . . 0.0 112.978 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.55 -33.97 76.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.61 1.096 . . . . 0.0 112.863 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -78.09 -41.15 36.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.566 0.746 . . . . 0.0 111.453 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.51 -41.41 98.51 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.249 1.386 . . . . 0.0 112.365 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.38 -31.39 70.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.63 1.172 . . . . 0.0 112.538 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -73.16 -42.23 63.01 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.618 0.645 . . . . 0.0 112.495 171.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.92 -49.38 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.79 1.236 . . . . 0.0 111.08 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.65 -32.98 74.88 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.487 -0.768 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.73 -44.12 74.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.304 0.956 . . . . 0.0 111.845 175.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.24 -44.12 92.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.275 0.63 . . . . 0.0 112.203 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.0 mtm -62.43 -39.31 92.9 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.427 -0.796 . . . . 0.0 112.021 172.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -61.12 -43.11 99.38 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 112.168 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.543 0.679 0 CA-C-N 119.204 0.911 . . . . 0.0 112.434 175.375 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -60.34 -21.38 62.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.96 1.304 . . . . 0.0 113.717 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -77.8 -6.54 54.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.301 1.44 . . . . 0.0 113.723 175.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.85 141.97 95.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 119.069 0.85 . . . . 0.0 112.492 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.62 158.23 51.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.708 2.938 . . . . 0.0 111.269 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.08 -16.9 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.59 -18.36 51.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.556 1.143 . . . . 0.0 113.689 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -99.6 -21.19 15.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.142 1.377 . . . . 0.0 112.696 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -92.57 131.99 37.23 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 111.257 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.35 137.42 55.97 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.18 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.85 -35.63 55.1 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.652 2.235 . . . . 0.0 114.601 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -85.5 -37.7 19.39 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.181 0.992 . . . . 0.0 111.229 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.87 -30.22 66.54 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.414 0.686 . . . . 0.0 112.647 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t0 55.77 37.09 28.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.551 2.34 . . . . 0.0 112.742 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -163.65 169.24 18.82 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.565 1.946 . . . . 0.0 110.498 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.46 120.31 10.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.571 1.548 . . . . 0.0 110.372 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -173.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 p 65.48 -26.12 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.131 2.972 . . . . 0.0 114.936 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.72 82.42 63.86 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.655 1.982 . . . . 0.0 110.371 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.01 135.06 22.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.873 3.049 . . . . 0.0 111.062 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.55 130.86 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.97 1.308 . . . . 0.0 110.107 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 ttp-105 -89.51 138.13 31.73 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.169 1.788 . . . . 0.0 111.356 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -100.78 162.32 21.05 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 126.06 1.744 . . . . 0.0 110.683 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.96 -22.48 55.53 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.162 2.575 . . . . 0.0 113.818 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.8 p -77.41 -0.77 27.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.319 1.447 . . . . 0.0 114.397 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.34 -3.4 85.4 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.45 1.5 . . . . 0.0 114.448 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -71.4 150.1 45.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.868 2.067 . . . . 0.0 111.006 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.3 t -128.42 126.77 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 109.76 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -130.62 166.87 19.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.799 1.64 . . . . 0.0 111.453 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.44 136.8 57.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.223 1.409 . . . . 0.0 112.685 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -52.19 -49.53 63.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.104 1.762 . . . . 0.0 113.189 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.9 m -69.64 -37.72 76.87 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.759 -0.588 . . . . 0.0 111.794 -176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.28 -44.68 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.57 -42.08 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.743 1.156 . . . . 0.0 112.407 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.8 -32.01 68.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.048 0.84 . . . . 0.0 112.442 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -66.47 -47.34 73.4 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.789 0.722 . . . . 0.0 110.815 172.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -63.02 -34.68 78.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.55 0.614 . . . . 0.0 112.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -55.54 -34.83 65.05 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.235 1.014 . . . . 0.0 113.49 172.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.41 -27.33 63.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.98 0.912 . . . . 0.0 112.73 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -78.03 -42.91 30.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.949 0.899 . . . . 0.0 111.702 174.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -167.53 154.14 7.73 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 126.564 1.946 . . . . 0.0 111.239 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.02 62.43 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.284 3.323 . . . . 0.0 110.802 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 p -145.31 158.9 43.73 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.857 1.663 . . . . 0.0 112.33 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -66.65 136.05 94.64 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 127.143 2.177 . . . . 0.0 111.261 172.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -20.1 50.73 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.783 2.989 . . . . 0.0 115.26 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -120.03 -38.46 2.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.261 0.937 . . . . 0.0 113.355 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -93.84 -23.22 18.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.304 0.641 . . . . 0.0 112.496 -174.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 63.44 15.23 8.59 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.195 2.198 . . . . 0.0 114.473 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -60.58 152.57 25.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.075 160.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 139.14 58.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.185 0.594 . . . . 0.0 111.801 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.78 135.91 13.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.804 1.241 . . . . 0.0 109.913 -167.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 p -128.75 157.57 41.06 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.757 1.623 . . . . 0.0 111.651 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.14 -24.12 62.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.657 1.583 . . . . 0.0 114.224 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -75.1 -16.49 60.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.964 1.306 . . . . 0.0 113.573 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.5 mmm -91.05 -6.42 53.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.015 1.326 . . . . 0.0 113.364 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.8 152.81 19.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.723 1.609 . . . . 0.0 112.282 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -160.27 132.85 4.46 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.254 1.422 . . . . 0.0 109.929 173.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 143.74 53.65 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.874 2.383 . . . . 0.0 111.56 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.8 t -93.52 111.63 53.17 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.141 0.976 . . . . 0.0 110.834 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.82 -35.71 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.625 2.217 . . . . 0.0 113.011 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.26 -30.72 71.21 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.99 0.814 . . . . 0.0 112.884 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -77.74 -43.79 29.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.741 0.7 . . . . 0.0 111.208 170.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.1 -40.49 97.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.174 0.897 . . . . 0.0 112.734 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.05 -33.09 73.92 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.516 1.126 . . . . 0.0 112.125 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.67 -41.91 62.04 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -58.96 -49.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -64.93 -32.44 74.15 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.85 79.73 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.683 0.674 . . . . 0.0 111.906 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -66.49 -42.72 87.01 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.354 0.661 . . . . 0.0 111.997 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.12 -38.75 83.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.278 1.031 . . . . 0.0 112.244 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -68.07 -43.63 78.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.574 1.15 . . . . 0.0 111.678 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 111.895 174.462 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -63.13 -13.96 42.9 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.117 -1.614 . . . . 0.0 113.657 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -76.87 -6.23 51.61 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.906 2.082 . . . . 0.0 114.023 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 146.06 83.67 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 121.037 -1.039 . . . . 0.0 113.333 -176.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.59 155.67 49.79 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.729 2.953 . . . . 0.0 111.108 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.83 -25.88 67.78 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.98 -18.3 62.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.452 1.101 . . . . 0.0 113.549 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -99.02 4.24 47.09 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.414 1.486 . . . . 0.0 112.853 173.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -121.65 150.64 41.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.146 0.885 . . . . 0.0 112.784 -169.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -82.71 146.67 53.47 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 123.962 0.905 . . . . 0.0 112.443 169.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.17 -28.86 1.78 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.088 2.525 . . . . 0.0 113.37 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.61 -47.9 20.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 111.043 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.9 mtt -100.07 -4.11 30.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.466 1.507 . . . . 0.0 113.599 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 67.66 11.29 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 128.226 2.611 . . . . 0.0 114.733 169.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -123.72 170.49 10.45 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.352 1.461 . . . . 0.0 112.317 -167.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.39 116.31 8.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.946 1.299 . . . . 0.0 109.413 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -74.78 -31.5 61.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -165.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 57.47 -23.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 130.221 3.408 . . . . 0.0 116.76 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -122.72 77.13 47.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 126.55 1.94 . . . . 0.0 110.701 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.19 135.94 28.18 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.681 2.921 . . . . 0.0 111.179 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -132.82 132.92 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.761 1.624 . . . . 0.0 109.826 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -89.43 139.49 30.46 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.822 1.649 . . . . 0.0 111.303 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.47 157.65 35.86 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.881 2.072 . . . . 0.0 109.79 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.07 -25.45 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.02 2.48 . . . . 0.0 113.075 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 m -77.46 -0.71 27.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.42 1.088 . . . . 0.0 113.741 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -7.97 69.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.241 1.4 . . . . 0.0 114.868 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 m -64.55 149.43 48.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.551 1.941 . . . . 0.0 110.264 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.3 t -118.87 137.81 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.976 1.311 . . . . 0.0 110.23 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 tpp -134.34 165.26 25.56 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.665 1.986 . . . . 0.0 110.54 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.47 136.35 49.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.365 1.066 . . . . 0.0 111.146 169.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -48.58 -52.33 23.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.742 1.617 . . . . 0.0 113.133 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -68.46 -38.64 81.27 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.637 -0.665 . . . . 0.0 111.688 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.0 mt -65.25 -46.27 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.111 0.964 . . . . 0.0 111.658 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.99 -47.35 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.905 1.23 . . . . 0.0 111.487 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.24 -32.94 74.31 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.406 1.003 . . . . 0.0 112.434 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -69.1 -33.29 73.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.549 0.74 . . . . 0.0 112.279 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -73.5 -41.71 62.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.168 0.895 . . . . 0.0 111.838 172.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.72 -36.44 74.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.551 1.14 . . . . 0.0 113.308 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -33.25 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.584 1.153 . . . . 0.0 112.982 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -87.78 -47.0 8.97 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.36 1.064 . . . . 0.0 113.184 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.7 m -151.14 146.37 19.04 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.74 1.616 . . . . 0.0 112.085 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.03 59.93 7.59 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.411 3.407 . . . . 0.0 111.33 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.4 p -148.22 159.67 43.73 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.561 1.944 . . . . 0.0 111.602 -172.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.65 142.45 94.0 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 125.824 1.65 . . . . 0.0 112.134 173.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -67.32 -18.86 50.26 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.059 3.173 . . . . 0.0 116.353 -174.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.76 -32.29 2.37 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.47 -28.34 18.64 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.399 1.08 . . . . 0.0 111.715 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 61.92 15.2 6.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.174 2.189 . . . . 0.0 114.478 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -61.65 152.31 31.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.976 . . . . 0.0 110.026 160.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -66.13 140.56 58.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.913 0.485 . . . . 0.0 111.196 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.83 137.77 19.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.115 1.366 . . . . 0.0 109.315 -167.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 m -129.94 151.51 50.42 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.021 1.728 . . . . 0.0 109.252 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.27 -32.19 64.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.053 0.941 . . . . 0.0 112.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -65.99 -17.11 64.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.106 1.362 . . . . 0.0 113.973 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 mmt -87.96 -9.27 54.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.522 1.129 . . . . 0.0 113.668 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 mt -82.64 151.57 26.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.029 1.332 . . . . 0.0 111.994 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -156.56 112.44 2.03 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.004 1.322 . . . . 0.0 110.27 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -57.22 137.87 83.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.954 2.436 . . . . 0.0 112.128 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.8 112.89 58.83 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.131 0.972 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.9 -37.13 0.63 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.893 2.396 . . . . 0.0 112.5 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.06 69.33 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.964 0.802 . . . . 0.0 112.933 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.62 -42.7 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.583 0.753 . . . . 0.0 111.558 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.8 -39.39 90.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.326 0.966 . . . . 0.0 112.808 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.49 -31.51 70.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.524 1.129 . . . . 0.0 112.445 174.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.49 -40.33 64.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.288 0.495 . . . . 0.0 112.237 171.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -59.0 -50.35 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.651 1.18 . . . . 0.0 111.236 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.44 -32.56 74.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.488 0.586 . . . . 0.0 112.553 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.56 -43.98 75.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.184 0.593 . . . . 0.0 111.875 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -62.97 -42.99 99.99 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.454 0.702 . . . . 0.0 112.154 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mtp -58.39 -40.16 81.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.324 1.05 . . . . 0.0 111.882 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.6 -46.14 83.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.433 0.693 . . . . 0.0 111.905 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 119.07 0.85 . . . . 0.0 112.764 177.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.8 m -59.66 -18.1 39.22 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.713 -1.242 . . . . 0.0 112.995 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.46 -6.29 49.34 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.418 1.887 . . . . 0.0 114.023 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 150.27 83.46 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.0 0.92 . . . . 0.0 113.17 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.92 156.56 62.62 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.479 2.786 . . . . 0.0 110.724 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.62 -23.88 67.29 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 113.585 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.12 -20.6 62.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.867 1.267 . . . . 0.0 114.036 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -98.98 -11.26 21.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.884 1.274 . . . . 0.0 113.223 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -99.05 138.48 36.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.437 1.095 . . . . 0.0 111.409 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -78.68 133.09 63.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.549 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -72.27 -11.44 26.82 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.907 2.405 . . . . 0.0 115.198 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 tp -79.84 -60.75 2.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.546 1.521 . . . . 0.0 110.938 171.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.29 -18.33 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 74.56 -1.64 3.03 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.097 2.559 . . . . 0.0 114.031 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 p -93.57 156.29 16.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.667 1.987 . . . . 0.0 112.226 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.61 116.7 5.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 109.152 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -69.21 -37.6 78.15 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p 64.22 -26.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 129.127 2.971 . . . . 0.0 115.363 -177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.45 78.67 20.32 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 127.256 2.223 . . . . 0.0 109.99 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.4 134.03 18.35 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.765 2.31 . . . . 0.0 110.197 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.16 128.26 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.736 1.214 . . . . 0.0 109.386 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -90.02 137.55 32.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.193 1.797 . . . . 0.0 110.822 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.45 162.49 25.82 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.638 2.375 . . . . 0.0 109.92 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -64.01 -23.03 67.91 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.451 2.767 . . . . 0.0 112.992 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p -80.01 -4.35 52.25 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.542 1.537 . . . . 0.0 113.93 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.42 -5.81 83.71 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.515 1.531 . . . . 0.0 114.296 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -65.09 150.18 48.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.08 2.152 . . . . 0.0 110.297 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.86 129.15 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.199 1.0 . . . . 0.0 110.662 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -130.19 163.68 26.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.316 1.846 . . . . 0.0 112.148 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.24 130.46 43.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.858 1.263 . . . . 0.0 111.22 169.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -43.98 -47.59 8.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.016 1.726 . . . . 0.0 113.438 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.1 m -70.53 -30.76 67.59 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.812 0.845 . . . . 0.0 112.754 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.5 mt -79.14 -43.29 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.317 -0.864 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tp -64.13 -44.66 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.846 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.74 -32.79 74.32 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.947 1.249 . . . . 0.0 112.485 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.16 -44.11 89.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.782 0.719 . . . . 0.0 110.885 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.2 -42.19 84.57 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.833 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.76 -36.3 76.36 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.07 -34.79 78.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.99 0.916 . . . . 0.0 112.126 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 -43.2 26.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.006 . . . . 0.0 113.389 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -162.77 150.15 11.2 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 126.269 1.828 . . . . 0.0 111.4 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.74 66.05 8.66 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.094 3.196 . . . . 0.0 111.328 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 p -147.41 153.03 39.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.655 1.582 . . . . 0.0 112.168 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.31 139.78 97.57 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.752 2.021 . . . . 0.0 111.792 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.25 -24.94 43.29 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.698 2.932 . . . . 0.0 114.899 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.76 -39.19 2.76 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.269 0.94 . . . . 0.0 113.43 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.02 -25.5 19.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.176 0.99 . . . . 0.0 112.388 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 69.3 10.93 8.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.319 2.248 . . . . 0.0 114.294 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -56.5 147.67 21.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.884 1.274 . . . . 0.0 110.402 161.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.06 140.15 58.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.234 0.614 . . . . 0.0 110.46 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.94 140.22 21.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.853 0.861 . . . . 0.0 111.11 -164.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.8 m -132.74 151.81 51.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.298 1.839 . . . . 0.0 109.327 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.71 -33.55 48.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.502 1.121 . . . . 0.0 113.508 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -64.61 -16.91 63.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.968 1.307 . . . . 0.0 114.504 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.2 mtt -85.43 -12.52 51.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.59 1.156 . . . . 0.0 113.133 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -84.4 151.59 24.58 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.29 1.436 . . . . 0.0 112.692 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -148.08 108.66 3.7 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.801 1.241 . . . . 0.0 110.082 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.82 121.79 10.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.251 2.634 . . . . 0.0 110.489 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.09 117.07 66.11 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 123.374 0.67 . . . . 0.0 110.99 -168.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.8 -32.57 1.07 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.056 2.504 . . . . 0.0 114.008 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -41.27 94.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.662 1.119 . . . . 0.0 111.534 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.08 -39.01 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.507 -0.746 . . . . 0.0 112.056 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -62.59 -44.86 95.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.627 1.103 . . . . 0.0 112.143 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.25 -32.6 73.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.929 1.292 . . . . 0.0 112.125 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.48 -41.61 65.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.257 0.481 . . . . 0.0 112.223 172.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt -60.66 -50.0 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.583 1.153 . . . . 0.0 111.649 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.37 -32.04 73.47 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.821 0.737 . . . . 0.0 112.452 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.89 83.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.031 0.533 . . . . 0.0 111.943 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -67.16 -41.46 85.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.78 -0.575 . . . . 0.0 111.856 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.2 mtp -61.09 -42.72 99.03 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.402 -0.811 . . . . 0.0 111.503 173.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.76 -41.54 86.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 112.227 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.326 0.65 . . . . 0.0 111.905 175.637 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -58.19 -21.32 46.98 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.713 -1.242 . . . . 0.0 113.286 167.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.17 -6.17 50.08 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.042 2.137 . . . . 0.0 113.703 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 142.26 98.34 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.208 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.78 156.94 63.97 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.615 2.877 . . . . 0.0 111.249 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.7 -21.58 65.87 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.3 -15.41 60.0 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 113.753 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -94.32 -20.62 19.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.01 1.324 . . . . 0.0 112.922 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm105 -95.54 133.23 39.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 111.978 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.46 137.8 59.41 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.946 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.25 -14.02 42.41 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.215 2.61 . . . . 0.0 115.858 -172.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -79.93 -60.73 2.23 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.825 1.648 . . . . 0.0 111.148 170.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.15 -19.27 30.36 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.54 41.07 32.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.669 1.988 . . . . 0.0 113.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -145.34 162.42 37.29 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.007 1.723 . . . . 0.0 109.884 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 119.21 6.42 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.513 1.125 . . . . 0.0 110.853 -171.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -71.95 -35.62 69.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 71.48 -29.48 0.19 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.716 2.407 . . . . 0.0 113.21 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -125.68 80.34 66.65 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.413 2.285 . . . . 0.0 109.965 174.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.32 134.89 25.64 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.049 2.499 . . . . 0.0 110.067 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -131.28 137.83 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.535 1.534 . . . . 0.0 109.819 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -89.71 131.29 35.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.758 2.023 . . . . 0.0 110.143 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.02 161.26 28.87 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.901 1.68 . . . . 0.0 109.888 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.75 -21.87 50.67 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.411 2.741 . . . . 0.0 113.448 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 p -74.89 -5.81 45.74 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 1.36 74.74 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.672 1.606 . . . . 0.0 114.435 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -70.06 140.95 52.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.347 1.459 . . . . 0.0 110.36 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -103.39 137.8 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.743 1.217 . . . . 0.0 109.564 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.6 ttm -151.06 159.17 44.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.386 1.475 . . . . 0.0 111.257 -173.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -67.75 128.29 35.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.616 1.166 . . . . 0.0 110.979 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -46.25 -46.89 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.858 1.663 . . . . 0.0 113.101 173.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -69.4 -37.55 77.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 111.974 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.8 mt -73.68 -41.2 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.94 -42.28 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.426 -0.796 . . . . 0.0 112.286 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 pp -69.26 -32.05 70.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.825 1.193 . . . . 0.0 112.045 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -65.0 -46.67 80.45 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.476 0.71 . . . . 0.0 110.415 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -68.93 -34.95 76.21 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.37 -0.831 . . . . 0.0 112.518 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.4 mt -57.49 -35.21 69.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.06 0.944 . . . . 0.0 112.897 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.72 -42.55 97.89 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.174 0.99 . . . . 0.0 111.172 171.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.57 -45.22 76.21 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 113.501 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -163.73 153.08 12.32 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 126.105 1.762 . . . . 0.0 111.596 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.48 51.69 3.63 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.607 3.538 . . . . 0.0 111.679 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 p -144.81 160.58 41.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.383 1.873 . . . . 0.0 112.59 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.33 132.15 91.61 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 126.636 1.974 . . . . 0.0 111.605 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -64.82 -23.75 62.13 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.746 2.964 . . . . 0.0 115.304 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -110.34 -39.47 4.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.414 1.086 . . . . 0.0 112.577 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -102.0 -19.52 15.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.75 0.82 . . . . 0.0 112.895 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 66.84 12.27 8.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.703 2.001 . . . . 0.0 114.823 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -65.0 152.24 43.89 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.261 1.024 . . . . 0.0 110.343 166.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.72 140.11 58.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.106 0.562 . . . . 0.0 111.004 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -152.33 139.94 19.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.935 0.894 . . . . 0.0 110.248 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -134.47 152.56 51.87 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.013 1.725 . . . . 0.0 109.902 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -54.06 -32.32 54.28 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.942 1.297 . . . . 0.0 113.354 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 p -70.3 -14.57 62.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.008 1.323 . . . . 0.0 114.188 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.2 mtt -88.23 -6.79 57.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.053 1.341 . . . . 0.0 112.851 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.29 152.31 22.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.659 1.584 . . . . 0.0 112.189 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -158.99 131.77 4.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.905 1.682 . . . . 0.0 109.153 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.5 142.54 49.36 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.585 2.19 . . . . 0.0 111.283 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -89.27 112.51 51.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.388 1.075 . . . . 0.0 109.932 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.12 -38.62 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.601 2.201 . . . . 0.0 112.79 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.75 -20.69 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -92.82 -45.59 7.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.554 0.742 . . . . 0.0 111.604 170.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.63 -40.34 91.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.693 1.133 . . . . 0.0 112.672 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.87 -34.46 77.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.189 0.996 . . . . 0.0 112.559 176.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -73.04 -41.22 64.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.17 0.588 . . . . 0.0 112.245 173.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.64 -51.27 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.501 1.121 . . . . 0.0 111.268 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.92 -32.49 74.02 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.22 75.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.83 0.852 . . . . 0.0 111.804 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -64.95 -45.46 85.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.873 0.869 . . . . 0.0 112.136 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -57.75 -36.02 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.894 0.878 . . . . 0.0 112.281 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -68.56 -45.56 71.78 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.044 0.937 . . . . 0.0 111.931 174.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 123.939 0.896 . . . . 0.0 112.547 178.581 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 CA--C 1.55 0.966 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -63.35 -9.77 13.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.404 -1.435 . . . . 0.0 113.616 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.42 -8.69 59.77 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.621 1.968 . . . . 0.0 113.501 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 149.93 90.3 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.718 -1.239 . . . . 0.0 112.998 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.06 156.67 59.46 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.519 2.813 . . . . 0.0 111.187 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.56 -31.17 69.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.447 1.099 . . . . 0.0 113.273 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -92.2 -5.62 52.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.459 1.103 . . . . 0.0 112.599 172.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -115.99 136.96 52.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.363 1.065 . . . . 0.0 112.297 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.59 141.55 48.7 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.031 0.932 . . . . 0.0 112.067 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.14 -35.15 66.13 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.689 2.259 . . . . 0.0 114.537 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 tp -72.6 -53.97 10.42 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.428 0.558 . . . . 0.0 111.662 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mmm -89.37 -10.81 45.23 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.13 8.77 7.02 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.297 2.239 . . . . 0.0 114.436 172.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -137.21 172.91 12.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.276 1.43 . . . . 0.0 111.924 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.35 121.83 11.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.452 1.901 . . . . 0.0 111.093 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -71.9 -29.2 64.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 p 66.96 -28.82 0.14 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 129.123 2.969 . . . . 0.0 115.005 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -132.84 89.13 35.62 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 127.349 2.26 . . . . 0.0 109.157 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.73 135.33 14.27 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.567 2.845 . . . . 0.0 111.641 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.52 126.98 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.906 1.282 . . . . 0.0 109.81 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -89.85 136.88 32.78 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.338 1.855 . . . . 0.0 110.944 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 165.3 17.49 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 127.339 2.255 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.89 -21.77 73.37 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.067 2.511 . . . . 0.0 113.603 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.2 p -71.57 -12.41 61.35 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.682 1.193 . . . . 0.0 114.184 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.16 -3.86 85.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.55 1.548 . . . . 0.0 114.056 -172.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.5 m -75.34 148.12 39.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.185 1.394 . . . . 0.0 109.757 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.8 t -116.08 132.74 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.352 1.061 . . . . 0.0 110.356 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -126.4 165.97 18.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 111.725 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.92 129.89 41.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.282 1.433 . . . . 0.0 111.556 168.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -47.26 -53.73 12.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 113.419 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -70.61 -34.26 71.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.116 0.566 . . . . 0.0 111.455 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.72 -46.03 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.727 0.694 . . . . 0.0 110.213 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.38 -43.82 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.358 0.981 . . . . 0.0 112.244 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.32 -33.41 73.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.121 0.873 . . . . 0.0 112.004 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.17 76.94 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.321 0.964 . . . . 0.0 111.604 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.0 -33.77 74.95 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.342 0.974 . . . . 0.0 112.583 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.16 -35.36 67.1 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.82 1.248 . . . . 0.0 113.492 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -25.51 64.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.717 0.807 . . . . 0.0 112.549 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.1 -53.1 5.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.067 0.947 . . . . 0.0 111.121 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -152.35 144.29 16.49 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 125.262 1.425 . . . . 0.0 111.719 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.71 55.43 5.67 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.191 3.261 . . . . 0.0 110.571 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -145.24 160.74 41.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.189 1.396 . . . . 0.0 112.411 -168.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -64.06 135.95 96.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 125.627 1.571 . . . . 0.0 110.551 170.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.49 -13.79 30.41 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.661 2.907 . . . . 0.0 115.601 -172.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -125.17 -28.42 3.41 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -105.68 -31.55 8.85 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.606 1.562 . . . . 0.0 111.906 -175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.268 81.4 mtt-85 66.43 23.82 10.51 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.214 1.805 . . . . 0.0 114.559 166.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.96 165.59 19.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 110.293 150.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -60.79 147.72 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.022 0.929 . . . . 0.0 112.482 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -156.25 134.03 11.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.138 1.775 . . . . 0.0 109.546 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -129.54 151.41 50.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.153 1.381 . . . . 0.0 109.379 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.25 -23.09 65.4 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 p -71.62 -18.68 62.19 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.64 1.176 . . . . 0.0 113.344 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.7 mmt -91.5 -9.57 43.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 113.112 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.49 148.96 27.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.328 1.451 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -150.39 124.81 4.59 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 124.546 1.138 . . . . 0.0 110.046 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.11 119.69 6.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.728 2.285 . . . . 0.0 109.117 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.4 116.66 66.72 Favored Pre-proline 0 N--CA 1.477 0.887 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.833 -170.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.67 -33.56 1.22 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.902 2.401 . . . . 0.0 114.021 -168.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.98 -37.77 88.64 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.758 1.163 . . . . 0.0 112.048 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -41.56 56.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.03 0.932 . . . . 0.0 110.649 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.99 -43.43 98.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.208 -0.932 . . . . 0.0 112.398 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.34 -36.01 82.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.503 1.121 . . . . 0.0 111.632 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -68.89 -46.6 67.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.904 0.482 . . . . 0.0 111.22 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.28 -47.91 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.015 0.926 . . . . 0.0 112.009 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.731 0.696 . . . . 0.0 112.687 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.8 65.31 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.327 0.512 . . . . 0.0 111.538 169.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.91 -40.62 96.1 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.298 0.639 . . . . 0.0 112.635 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.7 mtm -60.14 -38.32 82.74 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.983 -1.073 . . . . 0.0 112.044 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.29 -42.32 83.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.415 0.686 . . . . 0.0 111.826 174.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 123.543 0.737 . . . . 0.0 112.225 174.264 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.4 m -58.03 -23.52 54.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.999 1.32 . . . . 0.0 113.41 170.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.89 -9.61 59.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.785 1.634 . . . . 0.0 113.533 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.4 147.88 98.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.224 -0.923 . . . . 0.0 112.014 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.29 157.22 57.49 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.389 2.726 . . . . 0.0 111.291 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.07 -19.42 65.22 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.89 -17.47 57.27 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 173.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -98.56 -16.57 19.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.661 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -97.09 131.46 43.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.756 1.222 . . . . 0.0 111.548 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.81 140.32 40.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.881 0.872 . . . . 0.0 111.279 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.08 -38.81 54.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 123.268 2.645 . . . . 0.0 114.58 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -87.64 -35.25 18.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.0 0.92 . . . . 0.0 111.498 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 ttt -66.84 -32.16 73.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.56 0.744 . . . . 0.0 112.39 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 60.68 32.29 20.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.0 2.12 . . . . 0.0 112.587 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -168.56 174.89 6.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.024 2.13 . . . . 0.0 111.154 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.31 121.5 12.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.737 1.615 . . . . 0.0 110.547 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -68.09 -37.95 81.78 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m 73.35 -34.52 0.29 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.041 2.536 . . . . 0.0 113.044 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.55 83.38 41.22 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 127.154 2.182 . . . . 0.0 109.97 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.74 135.84 20.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.146 2.564 . . . . 0.0 111.416 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.98 125.83 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.835 1.254 . . . . 0.0 109.661 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -90.46 136.36 33.11 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.703 1.201 . . . . 0.0 111.369 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.27 163.58 20.4 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 127.092 2.157 . . . . 0.0 110.64 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.59 -23.53 56.95 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.966 2.444 . . . . 0.0 113.883 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -71.22 -8.16 51.72 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 173.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.22 -5.11 83.03 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.506 1.527 . . . . 0.0 113.805 -174.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 m -68.74 147.46 51.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.412 1.885 . . . . 0.0 109.456 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.4 t -122.33 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.165 0.986 . . . . 0.0 110.068 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -123.26 163.38 20.81 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 111.923 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.77 133.81 55.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.323 1.049 . . . . 0.0 112.242 165.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -47.3 -54.69 10.36 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.621 1.568 . . . . 0.0 112.846 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -68.29 -33.64 74.71 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.522 -0.736 . . . . 0.0 111.999 -171.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -73.44 -44.21 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.109 -0.994 . . . . 0.0 111.956 175.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.78 -41.21 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 119.974 1.261 . . . . 0.0 111.545 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.93 -33.99 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.617 0.644 . . . . 0.0 112.212 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -70.68 -33.48 70.96 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.138 0.881 . . . . 0.0 112.366 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.3 -38.05 68.83 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.761 0.709 . . . . 0.0 111.861 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.66 -36.55 69.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.067 0.947 . . . . 0.0 112.85 171.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.93 -22.4 65.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.291 1.036 . . . . 0.0 113.417 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.35 -44.16 11.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.772 0.829 . . . . 0.0 112.475 173.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -164.3 155.0 13.2 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.165 1.786 . . . . 0.0 111.739 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.71 59.14 7.14 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 124.298 3.332 . . . . 0.0 111.073 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -143.01 157.26 44.71 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.772 1.629 . . . . 0.0 112.512 -171.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -66.9 134.46 94.02 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 127.661 2.384 . . . . 0.0 111.457 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -67.13 -21.81 48.16 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.25 3.3 . . . . 0.0 114.85 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -118.23 -36.0 3.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.34 0.973 . . . . 0.0 113.374 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -97.28 -28.07 14.22 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.069 0.948 . . . . 0.0 112.743 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 65.96 17.32 10.77 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.251 2.22 . . . . 0.0 114.045 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -59.13 158.95 8.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.763 0.825 . . . . 0.0 110.279 155.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.45 141.91 58.35 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.047 0.539 . . . . 0.0 111.486 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -152.4 133.28 14.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.44 1.496 . . . . 0.0 110.085 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -129.69 154.09 47.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.724 1.609 . . . . 0.0 109.651 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.03 -36.09 49.09 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.766 1.227 . . . . 0.0 113.102 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -64.35 -15.8 61.05 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 mtt -90.2 -14.3 33.73 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.319 1.448 . . . . 0.0 112.947 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.28 153.23 20.62 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.519 1.528 . . . . 0.0 112.595 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.15 119.68 2.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.593 1.157 . . . . 0.0 109.473 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.5 125.43 18.76 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.258 2.638 . . . . 0.0 110.576 170.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.6 114.94 65.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 123.346 0.658 . . . . 0.0 111.076 -168.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.0 -32.35 1.9 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.219 2.613 . . . . 0.0 113.203 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.91 -20.89 66.69 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.293 0.951 . . . . 0.0 113.344 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.83 -45.73 10.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.697 0.799 . . . . 0.0 111.527 166.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.8 -37.87 80.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.534 1.061 . . . . 0.0 113.267 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.13 -33.39 74.4 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.85 0.86 . . . . 0.0 112.724 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.65 -41.95 62.04 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.903 0.881 . . . . 0.0 111.802 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.74 -51.99 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.174 1.39 . . . . 0.0 110.806 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.19 -32.88 74.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.771 0.714 . . . . 0.0 112.271 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.28 85.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.01 0.823 . . . . 0.0 111.415 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -66.78 -46.04 76.53 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.815 0.846 . . . . 0.0 111.823 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.1 mtp -59.43 -35.59 74.29 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.0 112.333 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.53 -39.89 81.41 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.202 1.001 . . . . 0.0 112.149 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 123.674 0.789 . . . . 0.0 111.741 176.248 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.549 0.926 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -57.65 -18.53 20.94 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.254 1.422 . . . . 0.0 113.47 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.5 -6.85 43.6 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.689 1.996 . . . . 0.0 113.886 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 147.09 86.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.592 1.157 . . . . 0.0 112.886 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.67 159.02 49.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.607 2.871 . . . . 0.0 110.637 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -15.55 9.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.762 1.225 . . . . 0.0 114.107 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.32 -37.18 72.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.299 1.44 . . . . 0.0 112.011 170.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -106.71 0.75 24.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.652 1.581 . . . . 0.0 113.127 -170.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -113.52 134.7 54.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.861 1.264 . . . . 0.0 111.763 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.86 142.87 27.98 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.005 1.322 . . . . 0.0 110.66 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.63 -36.89 73.06 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.58 2.853 . . . . 0.0 114.713 -173.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 tp -95.04 -33.8 12.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -34.35 78.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.955 0.502 . . . . 0.0 111.827 170.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 66.72 21.65 10.53 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.308 1.843 . . . . 0.0 113.342 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -163.75 -178.35 5.69 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.006 2.122 . . . . 0.0 110.33 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.5 114.51 2.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.204 1.402 . . . . 0.0 110.592 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -71.04 -34.97 71.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m 74.07 -36.16 0.33 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 128.045 2.538 . . . . 0.0 112.324 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -121.16 81.83 37.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 127.157 2.183 . . . . 0.0 109.433 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.36 135.39 26.62 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.524 2.816 . . . . 0.0 110.807 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.26 130.42 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.593 1.157 . . . . 0.0 109.945 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -89.74 135.88 33.36 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.593 1.157 . . . . 0.0 111.733 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.36 165.09 35.3 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.947 2.099 . . . . 0.0 110.506 173.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.79 -22.95 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.95 2.433 . . . . 0.0 113.068 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -75.16 -3.82 35.19 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.684 1.194 . . . . 0.0 113.792 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.77 -9.74 76.18 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 126.048 1.785 . . . . 0.0 114.562 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -71.31 148.28 47.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.717 2.007 . . . . 0.0 110.567 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.6 t -110.98 130.89 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.637 1.175 . . . . 0.0 110.777 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -132.78 166.58 21.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.442 1.897 . . . . 0.0 112.278 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.57 135.17 48.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 113.1 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -57.12 -46.47 82.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.515 1.126 . . . . 0.0 113.667 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -66.26 -35.64 80.93 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.114 -0.991 . . . . 0.0 112.385 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -73.38 -43.66 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.529 1.132 . . . . 0.0 111.293 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.67 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.55 0.613 . . . . 0.0 111.102 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.26 -34.12 70.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.258 -0.901 . . . . 0.0 112.284 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.58 -38.54 91.35 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.253 0.933 . . . . 0.0 111.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -63.55 -52.62 60.32 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.784 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.17 -36.05 67.89 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tt -62.78 -38.55 91.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.286 1.434 . . . . 0.0 111.994 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.73 -44.44 27.8 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.24 1.016 . . . . 0.0 112.461 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -169.77 154.08 5.2 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.441 1.496 . . . . 0.0 112.572 -169.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.77 68.0 8.3 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.375 2.717 . . . . 0.0 111.017 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -139.29 146.73 40.71 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.286 1.434 . . . . 0.0 113.515 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.31 139.33 97.41 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.63 1.972 . . . . 0.0 111.182 169.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -68.67 -24.05 35.59 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.302 2.668 . . . . 0.0 115.378 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -123.81 -37.19 2.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.842 1.201 . . . . 0.0 113.384 -175.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -86.12 -25.73 25.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.532 0.733 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 71.38 6.01 5.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.834 2.454 . . . . 0.0 114.385 175.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -57.97 157.09 8.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.343 1.457 . . . . 0.0 111.359 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.17 136.42 55.9 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.009 0.524 . . . . 0.0 111.032 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -152.24 136.36 16.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 111.076 -167.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 m -123.83 151.95 42.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.046 1.738 . . . . 0.0 109.165 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.1 -22.78 61.37 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 p -68.51 -17.54 64.19 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.62 1.568 . . . . 0.0 113.473 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.6 mmt -89.03 -8.44 54.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.987 1.315 . . . . 0.0 112.928 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.0 155.69 21.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.063 1.345 . . . . 0.0 112.481 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -155.22 117.23 2.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.9 1.28 . . . . 0.0 110.294 171.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.16 136.5 76.83 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.6 2.867 . . . . 0.0 111.989 173.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.38 114.84 61.99 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.057 0.943 . . . . 0.0 111.017 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.47 -39.65 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.77 2.313 . . . . 0.0 112.081 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.45 -21.05 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.82 -43.1 11.48 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.429 168.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -65.45 -36.95 85.45 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.28 1.4 . . . . 0.0 113.228 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.27 -30.64 68.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.933 0.893 . . . . 0.0 112.41 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -73.05 -40.59 64.96 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.887 0.767 . . . . 0.0 112.241 170.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.46 -52.2 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 111.427 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.77 71.46 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.175 0.443 . . . . 0.0 112.148 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.24 66.56 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.1 0.863 . . . . 0.0 111.731 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -63.86 -43.17 96.92 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.354 -0.842 . . . . 0.0 112.355 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.8 mtp -60.86 -34.68 74.96 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.601 0.76 . . . . 0.0 112.53 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -67.54 -44.67 77.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.177 0.591 . . . . 0.0 111.817 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 118.954 0.797 . . . . 0.0 112.765 176.594 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -60.43 -17.71 46.16 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.521 -1.362 . . . . 0.0 114.004 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.297 2.639 . . . . 0.0 114.291 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 148.05 61.28 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.293 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.79 155.8 61.85 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.236 2.624 . . . . 0.0 111.8 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.5 -26.73 68.7 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.617 1.167 . . . . 0.0 113.553 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.78 -16.5 63.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -98.08 -1.49 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.395 1.478 . . . . 0.0 113.014 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -120.25 134.98 55.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 0.0 112.227 -167.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.35 134.02 49.28 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-O 118.61 -0.71 . . . . 0.0 111.045 173.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.91 -20.93 50.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.463 2.775 . . . . 0.0 115.148 -174.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.07 -47.9 19.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 120.218 1.372 . . . . 0.0 112.08 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.7 mtp -92.08 -20.12 21.61 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 56.6 52.77 9.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.946 1.698 . . . . 0.0 112.551 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -156.72 161.52 39.82 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.901 1.68 . . . . 0.0 110.828 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 120.62 12.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.087 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -71.05 -36.19 72.23 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 p 65.19 -31.7 0.14 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 129.359 3.064 . . . . 0.0 114.958 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.26 86.19 37.77 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.678 1.991 . . . . 0.0 110.047 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -71.25 134.87 25.76 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.197 2.598 . . . . 0.0 110.882 171.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.5 t -129.92 132.11 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.56 1.544 . . . . 0.0 109.461 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -89.94 140.17 29.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.956 2.102 . . . . 0.0 111.46 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 mt -98.09 160.25 28.78 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.933 2.093 . . . . 0.0 110.979 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.37 -21.88 66.38 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.269 2.646 . . . . 0.0 113.504 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.0 p -71.6 -11.25 60.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -2.59 80.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.751 1.644 . . . . 0.0 113.997 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.9 m -69.81 145.8 51.86 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.816 1.246 . . . . 0.0 110.051 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.4 t -113.02 143.21 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.981 1.313 . . . . 0.0 110.081 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.4 ttm -146.89 162.7 38.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.827 2.051 . . . . 0.0 111.14 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.5 135.76 47.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.368 1.067 . . . . 0.0 112.148 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -52.69 -51.24 61.16 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.547 1.539 . . . . 0.0 113.717 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 m -68.81 -37.63 79.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.608 -0.682 . . . . 0.0 112.517 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.95 -48.2 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.005 0.922 . . . . 0.0 111.084 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -64.24 -45.62 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 119.233 0.924 . . . . 0.0 111.628 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.21 -34.42 77.45 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.758 1.163 . . . . 0.0 112.553 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -66.96 -38.32 85.89 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.848 0.749 . . . . 0.0 111.859 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -67.0 -46.6 74.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.865 0.757 . . . . 0.0 111.142 174.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.62 -37.22 72.91 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.68 1.192 . . . . 0.0 113.347 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.43 -33.99 75.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.987 1.315 . . . . 0.0 112.601 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -79.67 -44.12 21.47 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.771 0.828 . . . . 0.0 111.321 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 p -169.91 145.15 2.4 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.773 1.629 . . . . 0.0 111.682 172.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.25 75.89 4.08 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.647 2.898 . . . . 0.0 112.316 -170.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -145.11 158.51 43.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.362 1.865 . . . . 0.0 111.537 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.18 134.28 91.47 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.618 1.167 . . . . 0.0 112.376 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -65.91 -22.24 56.17 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.506 2.804 . . . . 0.0 115.215 -174.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.1 -32.08 7.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.448 1.022 . . . . 0.0 113.151 -177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -102.99 -27.81 12.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.085 1.354 . . . . 0.0 112.871 -173.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 67.82 12.65 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.947 2.099 . . . . 0.0 114.501 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.27 157.72 37.17 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.802 0.841 . . . . 0.0 110.561 164.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -63.17 134.85 56.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.006 0.922 . . . . 0.0 111.706 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.76 120.31 5.09 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.382 1.473 . . . . 0.0 109.6 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -113.67 161.32 17.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.726 1.21 . . . . 0.0 112.154 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.87 -23.68 61.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.266 1.427 . . . . 0.0 113.872 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.0 p -70.86 -16.65 62.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.787 1.235 . . . . 0.0 113.814 174.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.6 mtt -89.11 -7.54 55.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.095 1.358 . . . . 0.0 113.377 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.6 154.67 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.377 1.471 . . . . 0.0 112.357 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -160.9 129.1 2.88 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.688 1.595 . . . . 0.0 109.681 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.52 144.96 41.37 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.677 2.252 . . . . 0.0 111.507 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.3 113.06 62.66 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 0.0 111.427 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.7 -34.64 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.237 2.625 . . . . 0.0 112.892 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.43 -23.22 66.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.417 1.008 . . . . 0.0 113.403 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.45 -41.93 11.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.336 1.054 . . . . 0.0 111.655 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.44 -35.33 80.55 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.43 1.014 . . . . 0.0 112.815 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.86 -34.71 79.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.149 1.38 . . . . 0.0 112.473 173.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.63 -40.78 63.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.135 0.574 . . . . 0.0 111.974 172.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.08 -48.8 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.256 1.022 . . . . 0.0 111.012 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -66.43 -32.2 73.42 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.31 0.959 . . . . 0.0 112.595 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.24 90.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.632 -0.668 . . . . 0.0 112.051 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -67.38 -44.05 79.89 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.376 0.67 . . . . 0.0 112.135 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.6 mtp -57.85 -35.63 71.19 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.302 1.041 . . . . 0.0 112.425 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -59.77 -45.26 92.83 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.243 -0.91 . . . . 0.0 112.207 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 123.315 0.646 . . . . 0.0 112.237 176.77 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -63.24 -6.9 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.283 -1.511 . . . . 0.0 113.514 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.12 -8.04 58.66 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.419 1.888 . . . . 0.0 113.475 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 152.73 78.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.923 1.289 . . . . 0.0 113.494 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.03 156.44 56.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.679 2.919 . . . . 0.0 111.272 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.19 -25.4 67.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.437 1.095 . . . . 0.0 113.855 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.97 -19.81 61.83 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -94.56 -0.2 54.74 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 0.0 112.881 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -119.31 143.98 47.08 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.362 1.065 . . . . 0.0 112.047 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.35 139.54 25.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 124.002 0.921 . . . . 0.0 110.773 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -37.04 54.62 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.146 2.564 . . . . 0.0 114.471 -174.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -81.93 -40.03 22.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.363 0.665 . . . . 0.0 111.072 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -68.03 -29.88 68.98 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 71.78 5.59 5.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.707 2.803 . . . . 0.0 113.266 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -151.86 179.65 8.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.605 1.562 . . . . 0.0 111.585 -169.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 118.63 7.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 111.359 -170.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -74.41 -34.59 63.31 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 p 66.69 -23.0 0.1 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 128.546 2.738 . . . . 0.0 115.463 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.39 81.05 71.34 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 126.359 1.864 . . . . 0.0 110.121 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.85 135.65 17.81 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.52 2.814 . . . . 0.0 111.996 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.7 t -123.36 129.37 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 126.168 1.787 . . . . 0.0 109.342 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -89.99 135.34 33.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.57 2.348 . . . . 0.0 110.963 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.16 163.95 20.51 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.447 2.299 . . . . 0.0 110.216 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.18 -24.14 59.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.056 2.504 . . . . 0.0 112.873 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -75.06 -6.78 51.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.903 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.91 77.98 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.847 1.689 . . . . 0.0 114.185 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -64.06 150.19 45.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.625 1.97 . . . . 0.0 110.338 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.94 132.45 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.966 0.907 . . . . 0.0 109.753 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -137.82 171.78 13.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.563 1.945 . . . . 0.0 111.544 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -70.81 136.19 48.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.255 1.022 . . . . 0.0 113.032 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -49.04 -52.24 26.47 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.602 1.961 . . . . 0.0 113.798 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -70.35 -38.46 74.81 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.434 -0.791 . . . . 0.0 111.788 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.55 -43.57 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.75 0.704 . . . . 0.0 111.292 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -64.03 -46.95 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 111.853 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.25 -36.11 80.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.382 0.992 . . . . 0.0 112.258 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.76 78.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.281 0.946 . . . . 0.0 111.704 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -70.12 -44.09 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.9 0.773 . . . . 0.0 111.664 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.95 -36.38 72.48 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.09 0.956 . . . . 0.0 113.165 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.09 -23.47 66.52 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.587 1.155 . . . . 0.0 113.951 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.14 -52.53 5.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.169 0.988 . . . . 0.0 111.005 171.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -151.06 141.34 14.5 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.859 1.664 . . . . 0.0 110.182 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.48 64.15 7.98 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.769 2.979 . . . . 0.0 111.127 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -144.33 156.27 44.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.718 1.607 . . . . 0.0 112.295 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.68 131.5 92.8 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 110.437 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.16 -19.85 56.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.501 2.801 . . . . 0.0 114.409 -172.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -120.67 -33.51 3.79 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.045 0.938 . . . . 0.0 113.258 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -96.1 -27.01 15.28 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.061 0.944 . . . . 0.0 112.956 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 66.74 16.03 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.532 2.333 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -61.75 154.82 24.51 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.582 1.153 . . . . 0.0 111.324 160.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpt -56.9 133.27 54.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.414 1.086 . . . . 0.0 110.716 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.11 114.26 4.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.895 0.878 . . . . 0.0 111.118 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.0 m -105.77 152.2 23.51 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.683 1.593 . . . . 0.0 109.705 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.31 -23.04 62.13 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 p -70.28 -17.28 63.1 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.323 1.449 . . . . 0.0 114.084 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.5 mtt -84.75 -13.79 50.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.872 1.269 . . . . 0.0 113.024 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.91 152.21 25.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.596 1.558 . . . . 0.0 111.985 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -151.24 118.3 3.31 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.789 1.236 . . . . 0.0 109.682 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.97 131.65 22.83 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.056 1.837 . . . . 0.0 109.182 174.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.51 105.25 53.97 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 123.261 0.624 . . . . 0.0 111.385 -171.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.82 -31.21 3.29 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.732 2.955 . . . . 0.0 113.563 -171.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.95 -26.29 68.76 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.345 0.975 . . . . 0.0 113.057 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.03 -44.28 16.83 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.804 -0.56 . . . . 0.0 111.483 169.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.08 -39.6 86.63 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.625 1.102 . . . . 0.0 113.004 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.04 -34.49 76.56 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.965 1.306 . . . . 0.0 112.309 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.99 -38.5 64.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.961 0.505 . . . . 0.0 112.321 172.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.97 -53.03 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.043 1.337 . . . . 0.0 111.095 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -65.69 -32.03 73.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.796 0.726 . . . . 0.0 112.357 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.3 78.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.674 0.789 . . . . 0.0 111.639 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -65.86 -42.33 90.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.68 0.792 . . . . 0.0 111.758 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mtp -60.76 -42.68 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.919 0.888 . . . . 0.0 111.578 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.08 -45.99 92.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.724 0.81 . . . . 0.0 112.001 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 123.367 0.667 . . . . 0.0 112.388 177.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -65.91 -11.21 45.38 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.495 -1.378 . . . . 0.0 112.734 170.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -76.13 -6.2 50.12 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.018 2.127 . . . . 0.0 113.978 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 140.58 87.38 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -174.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 153.87 72.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.858 3.039 . . . . 0.0 111.625 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.71 -25.19 66.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.844 1.258 . . . . 0.0 114.342 -168.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.73 -19.48 65.14 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.481 1.113 . . . . 0.0 113.984 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -101.11 -9.59 21.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.75 1.62 . . . . 0.0 113.67 173.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -85.22 146.12 27.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.661 0.785 . . . . 0.0 111.867 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -78.19 145.84 69.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 122.909 0.484 . . . . 0.0 111.704 162.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -28.02 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.229 2.62 . . . . 0.0 113.305 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.59 -50.49 9.91 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 111.204 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.6 mmm -94.69 -14.54 24.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.94 1.296 . . . . 0.0 114.451 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.5 t0 57.02 49.99 12.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.194 2.198 . . . . 0.0 113.604 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -149.41 172.56 14.74 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.987 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 121.18 11.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.09 0.956 . . . . 0.0 109.627 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -70.81 -43.05 69.44 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 m 73.31 -37.34 0.38 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.794 2.438 . . . . 0.0 113.054 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.9 79.69 8.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 127.011 2.124 . . . . 0.0 110.719 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.52 135.4 24.15 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.348 2.699 . . . . 0.0 110.826 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.6 t -134.39 128.23 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.955 1.702 . . . . 0.0 109.818 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -89.8 137.14 32.59 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.894 1.678 . . . . 0.0 111.565 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -89.48 161.75 38.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 110.66 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.8 -22.02 69.33 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.465 2.777 . . . . 0.0 113.423 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.4 p -70.42 -10.87 60.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.635 1.574 . . . . 0.0 114.519 171.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.66 -7.44 81.89 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 126.014 1.769 . . . . 0.0 114.262 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.4 m -66.81 149.33 50.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.764 1.626 . . . . 0.0 110.033 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -113.09 139.25 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.355 1.062 . . . . 0.0 110.232 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.8 tpp -135.03 167.68 20.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.298 1.839 . . . . 0.0 110.662 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.53 136.15 44.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.618 1.167 . . . . 0.0 111.871 169.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -48.27 -53.23 17.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.843 1.657 . . . . 0.0 113.032 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -69.63 -39.31 77.24 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.585 -172.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.11 -47.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.173 0.989 . . . . 0.0 111.653 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.87 -44.82 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.45 1.023 . . . . 0.0 112.053 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.91 -32.85 73.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.778 1.172 . . . . 0.0 112.361 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.11 -46.13 75.11 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.408 0.683 . . . . 0.0 110.691 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.64 -38.01 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.144 0.884 . . . . 0.0 112.24 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.7 -34.86 71.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.257 1.023 . . . . 0.0 112.652 172.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -27.58 68.57 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.363 1.065 . . . . 0.0 113.039 172.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -85.44 -47.84 9.57 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.225 1.01 . . . . 0.0 112.579 175.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 m -151.61 147.65 20.58 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.569 1.548 . . . . 0.0 110.919 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.02 54.36 5.13 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.364 3.376 . . . . 0.0 111.551 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 p -146.67 161.9 39.59 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.72 1.608 . . . . 0.0 112.433 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.26 137.76 75.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.595 1.158 . . . . 0.0 111.262 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.91 -29.56 67.27 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.645 2.896 . . . . 0.0 115.273 -175.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -112.04 -25.7 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.709 1.141 . . . . 0.0 113.928 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -101.47 -28.62 12.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.464 1.106 . . . . 0.0 112.315 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.48 20.1 10.9 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.841 2.056 . . . . 0.0 114.033 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -70.03 162.03 28.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.494 -0.754 . . . . 0.0 110.294 164.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.38 136.92 48.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.997 0.919 . . . . 0.0 110.923 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.52 142.33 18.95 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.687 1.195 . . . . 0.0 110.188 -173.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.6 m -144.28 153.77 42.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.539 1.936 . . . . 0.0 109.054 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -56.17 -32.06 63.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.277 1.031 . . . . 0.0 112.621 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -16.97 64.14 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.365 1.466 . . . . 0.0 113.896 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.5 mtt -87.55 -10.38 51.78 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.578 1.151 . . . . 0.0 113.293 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.23 153.43 24.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.219 1.408 . . . . 0.0 112.665 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -156.09 124.64 2.95 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.065 1.346 . . . . 0.0 110.095 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.83 140.27 35.0 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.247 2.631 . . . . 0.0 111.497 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.6 t -90.67 119.79 68.96 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.032 0.933 . . . . 0.0 111.268 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.02 -37.74 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.053 2.502 . . . . 0.0 112.836 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.17 -32.43 73.86 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.911 1.232 . . . . 0.0 112.554 -175.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.69 -44.98 26.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.742 0.817 . . . . 0.0 111.433 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -59.96 -42.4 94.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.644 1.111 . . . . 0.0 112.855 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.37 -35.51 81.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.962 1.305 . . . . 0.0 112.069 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.65 -40.44 66.37 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.794 -0.566 . . . . 0.0 112.389 173.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.14 -49.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.669 1.188 . . . . 0.0 111.602 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -32.61 74.34 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.686 0.675 . . . . 0.0 112.216 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.64 82.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.361 0.664 . . . . 0.0 111.564 172.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.5 -43.18 90.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.564 -0.71 . . . . 0.0 112.442 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.85 -39.65 85.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.14 0.882 . . . . 0.0 111.389 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -67.76 -39.89 84.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.699 0.8 . . . . 0.0 112.205 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 119.283 0.947 . . . . 0.0 112.686 174.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 N--CA 1.479 0.662 0 N-CA-C 114.055 0.752 . . . . 0.0 114.055 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.29 9.28 67.28 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 125.383 1.468 . . . . 0.0 115.122 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -64.29 147.83 51.6 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.022 1.329 . . . . 0.0 113.501 -173.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.68 168.93 24.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.595 1.558 . . . . 0.0 111.833 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -138.77 158.56 44.01 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.504 1.521 . . . . 0.0 111.82 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.88 142.2 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.106 1.362 . . . . 0.0 109.784 172.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.6 121.72 22.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.907 0.883 . . . . 0.0 111.954 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -95.43 28.46 2.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.649 1.179 . . . . 0.0 113.666 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -59.69 -18.9 46.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.842 1.257 . . . . 0.0 113.74 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.96 -5.96 55.1 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.941 1.697 . . . . 0.0 113.538 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 141.91 98.3 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 121.113 -0.992 . . . . 0.0 112.845 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.55 157.68 58.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 123.735 2.957 . . . . 0.0 111.453 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.74 -21.45 65.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.719 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.79 -17.09 57.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.562 1.145 . . . . 0.0 113.634 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -95.14 -20.97 18.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.02 1.328 . . . . 0.0 112.386 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -90.87 144.08 26.06 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.028 0.831 . . . . 0.0 113.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.4 153.15 79.03 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.14 1.376 . . . . 0.0 112.152 170.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.57 -32.25 0.67 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.286 2.658 . . . . 0.0 113.554 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.01 -52.03 8.78 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.027 0.83 . . . . 0.0 111.058 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.3 mmm -89.03 -11.8 43.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.549 1.54 . . . . 0.0 113.86 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 58.56 37.05 25.48 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.755 2.022 . . . . 0.0 113.423 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -142.83 172.01 13.27 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.034 1.334 . . . . 0.0 111.516 -176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.07 118.43 9.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 109.294 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -66.7 -39.58 88.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m 71.7 -35.49 0.33 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.335 2.654 . . . . 0.0 112.62 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.64 83.67 14.17 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 126.982 2.113 . . . . 0.0 110.436 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.76 135.39 23.6 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.345 2.697 . . . . 0.0 110.415 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.41 127.92 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.585 1.554 . . . . 0.0 109.277 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -89.88 137.47 32.31 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.954 1.302 . . . . 0.0 111.551 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -95.72 164.93 17.64 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 126.942 2.097 . . . . 0.0 110.804 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.5 -21.88 59.57 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.77 2.98 . . . . 0.0 113.115 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.6 p -69.82 -11.05 60.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.28 1.432 . . . . 0.0 114.095 170.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 -8.57 79.54 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.041 1.781 . . . . 0.0 113.933 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -68.18 145.86 53.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.102 1.761 . . . . 0.0 110.044 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.08 135.08 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.292 1.037 . . . . 0.0 109.334 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.5 tpp -135.96 165.4 25.75 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.829 1.652 . . . . 0.0 110.44 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.06 137.72 47.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 111.613 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -52.29 -48.84 65.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.606 1.562 . . . . 0.0 113.11 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -70.79 -39.48 73.12 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.341 -0.849 . . . . 0.0 112.553 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -64.76 -44.03 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.299 0.954 . . . . 0.0 111.903 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.93 -44.62 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.251 0.932 . . . . 0.0 111.838 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.31 -28.74 66.53 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.149 0.886 . . . . 0.0 112.942 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -68.72 -37.06 79.2 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.355 0.662 . . . . 0.0 111.369 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -72.58 -36.25 68.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 113.186 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 mt -54.93 -34.67 63.4 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.84 -31.83 73.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 113.117 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.48 -44.63 17.14 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.017 0.927 . . . . 0.0 112.421 175.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.9 p -163.07 151.48 11.89 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.928 1.291 . . . . 0.0 110.712 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.04 59.4 6.5 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.326 3.351 . . . . 0.0 111.513 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 p -149.58 163.71 37.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.221 1.408 . . . . 0.0 113.258 -168.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.05 137.78 97.21 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 126.29 1.836 . . . . 0.0 113.204 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.51 -17.77 33.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.939 3.092 . . . . 0.0 116.398 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -122.6 7.86 9.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.736 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.0 -27.4 0.13 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.767 1.227 . . . . 0.0 114.066 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.272 57.0 mtp180 61.25 28.93 18.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.952 2.101 . . . . 0.0 115.069 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.08 156.11 36.96 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.709 -0.619 . . . . 0.0 109.675 156.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.1 mmm -60.87 143.45 54.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.511 0.724 . . . . 0.0 112.5 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -155.52 136.71 13.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.709 1.604 . . . . 0.0 110.424 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.4 m -133.31 152.64 51.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.569 1.948 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.91 -29.1 62.74 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.306 1.043 . . . . 0.0 113.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p -69.98 -14.82 62.88 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.934 1.294 . . . . 0.0 113.985 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.3 mtt -90.79 -10.11 44.06 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.351 1.46 . . . . 0.0 113.281 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -86.41 150.94 23.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.793 1.637 . . . . 0.0 112.172 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -149.5 118.62 3.85 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 124.622 1.169 . . . . 0.0 110.324 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.83 139.76 89.85 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.111 3.207 . . . . 0.0 112.83 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.85 115.58 64.86 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.713 1.205 . . . . 0.0 110.271 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.6 -40.5 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.53 2.153 . . . . 0.0 112.839 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.37 -19.98 65.5 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -91.42 -45.68 8.42 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.052 0.941 . . . . 0.0 111.713 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.61 -40.12 93.7 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.568 1.076 . . . . 0.0 113.007 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.95 -31.73 70.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.173 0.989 . . . . 0.0 112.331 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.48 -41.65 62.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.627 0.649 . . . . 0.0 112.089 172.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.4 -48.51 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.736 1.214 . . . . 0.0 111.731 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.96 -32.15 73.2 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.1 76.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.547 0.739 . . . . 0.0 111.539 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -64.93 -47.9 76.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.825 0.85 . . . . 0.0 111.918 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.6 mtm -58.24 -34.27 70.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.611 0.765 . . . . 0.0 112.726 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -60.19 -44.85 94.76 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.721 0.691 . . . . 0.0 111.336 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.59 -36.83 84.9 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.489 0.716 . . . . 0.0 112.787 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -65.85 -34.49 78.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.098 -1.001 . . . . 0.0 112.371 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -76.92 -42.93 37.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.398 1.079 . . . . 0.0 112.229 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.5 p -72.38 -8.86 57.19 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -73.69 -16.13 61.21 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.324 1.05 . . . . 0.0 113.699 171.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.84 143.39 27.1 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.855 1.662 . . . . 0.0 111.487 176.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 CA--C 1.538 0.685 0 N-CA-C 113.606 0.579 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.85 -16.67 67.3 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 123.826 0.727 . . . . 0.0 113.597 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -76.2 112.58 12.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.266 1.026 . . . . 0.0 111.612 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.49 160.56 29.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.035 1.734 . . . . 0.0 111.442 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -141.83 155.93 45.56 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.48 1.512 . . . . 0.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.75 144.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.515 1.526 . . . . 0.0 109.018 170.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.34 97.01 6.15 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.215 0.606 . . . . 0.0 109.952 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -77.75 48.99 0.73 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.11 1.364 . . . . 0.0 113.561 -175.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -61.25 -23.56 65.74 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.659 -1.276 . . . . 0.0 113.337 175.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -84.04 -6.94 59.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.146 1.378 . . . . 0.0 114.186 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 137.18 97.03 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 119.614 1.097 . . . . 0.0 112.302 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.63 158.0 47.84 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 124.118 3.212 . . . . 0.0 111.317 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.92 -28.03 65.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 113.882 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.99 -15.56 61.54 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.4 -5.12 40.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.647 1.179 . . . . 0.0 112.776 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -103.63 154.1 19.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 112.99 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 142.54 62.89 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.177 0.591 . . . . 0.0 111.924 164.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.78 -25.78 8.83 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.42 2.746 . . . . 0.0 113.332 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.95 -52.89 8.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.77 0.828 . . . . 0.0 110.676 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 93.3 mmm -102.49 -13.33 17.27 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.78 5.89 5.29 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.793 2.437 . . . . 0.0 114.188 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.0 p -90.25 160.83 15.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.199 1.4 . . . . 0.0 111.581 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.67 112.78 6.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.613 0.765 . . . . 0.0 109.079 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -71.63 -40.03 70.01 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -166.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.285 4.7 t 55.04 -16.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 130.45 3.5 . . . . 0.0 116.967 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -117.86 73.54 9.12 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.785 2.034 . . . . 0.0 110.554 167.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.27 136.29 24.03 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.374 2.716 . . . . 0.0 110.173 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -134.39 134.49 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.807 1.643 . . . . 0.0 109.862 -174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -88.52 133.25 34.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.415 1.886 . . . . 0.0 110.379 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -98.93 157.8 33.47 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.051 2.141 . . . . 0.0 109.242 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.27 -25.2 49.94 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.045 2.496 . . . . 0.0 114.489 -166.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -77.57 0.64 22.26 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.04 4.59 68.83 Favored Glycine 0 N--CA 1.477 1.422 0 C-N-CA 125.357 1.456 . . . . 0.0 114.666 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 m -74.18 145.08 44.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.262 1.425 . . . . 0.0 109.521 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -106.39 137.41 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 109.596 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 tpp -137.68 164.16 29.52 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.329 1.852 . . . . 0.0 110.515 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.11 137.37 38.17 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.557 1.143 . . . . 0.0 111.191 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -54.33 -46.24 72.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.2 1.0 . . . . 0.0 112.897 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.37 -39.34 81.83 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.205 -0.934 . . . . 0.0 112.246 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.02 -44.39 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.439 -0.788 . . . . 0.0 111.74 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.06 -45.43 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.391 0.996 . . . . 0.0 111.518 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.37 -33.28 75.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.314 1.415 . . . . 0.0 112.592 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -64.1 -44.65 91.66 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.85 0.86 . . . . 0.0 111.042 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.56 -40.89 89.24 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.258 -0.901 . . . . 0.0 111.415 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.23 -36.17 77.12 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.441 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.31 -31.16 72.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.131 0.972 . . . . 0.0 112.444 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.65 -48.07 17.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 111.711 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 p -168.54 146.51 3.49 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.064 1.346 . . . . 0.0 111.378 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.74 64.73 8.73 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.046 3.164 . . . . 0.0 111.612 -173.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -141.23 158.05 44.42 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.47 1.508 . . . . 0.0 112.042 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.84 135.63 89.96 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 124.746 1.218 . . . . 0.0 111.571 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.98 -13.92 41.73 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.778 3.652 . . . . 0.0 115.251 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -130.64 -24.92 2.42 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -107.36 -19.64 13.52 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.39 1.076 . . . . 0.0 113.451 -173.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 64.76 11.1 6.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.041 2.136 . . . . 0.0 115.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.54 158.53 20.82 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.357 -0.839 . . . . 0.0 110.894 165.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -56.16 134.31 52.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.037 0.935 . . . . 0.0 110.743 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 131.81 10.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.095 0.958 . . . . 0.0 110.597 -173.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -148.52 177.86 9.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.947 . . . . 0.0 112.521 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.58 -25.97 54.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.171 1.789 . . . . 0.0 113.276 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.7 p -76.92 -15.22 59.74 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtt -96.84 -1.57 45.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.578 1.551 . . . . 0.0 113.025 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -90.54 152.51 20.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.894 1.678 . . . . 0.0 112.27 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -158.4 116.33 1.76 Allowed Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.428 1.491 . . . . 0.0 109.778 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -57.58 139.14 89.27 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.993 2.462 . . . . 0.0 113.242 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.35 115.59 65.0 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.732 1.213 . . . . 0.0 110.626 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.05 -35.19 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.007 2.471 . . . . 0.0 113.178 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.07 -19.47 64.88 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.11 -46.13 7.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.226 1.01 . . . . 0.0 111.693 169.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -55.86 -43.42 77.08 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.39 0.996 . . . . 0.0 112.677 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.79 -35.93 82.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.69 1.196 . . . . 0.0 112.426 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -73.42 -41.72 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.816 0.846 . . . . 0.0 112.05 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.63 -48.66 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.321 1.048 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.94 -32.49 74.02 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.66 0.663 . . . . 0.0 112.651 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.07 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.458 0.703 . . . . 0.0 111.66 173.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.98 -44.11 85.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.604 0.762 . . . . 0.0 112.113 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.81 -35.85 81.24 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.283 -0.886 . . . . 0.0 112.219 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.71 81.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.682 0.674 . . . . 0.0 112.1 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.957 0.903 . . . . 0.0 112.376 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -72.19 -35.84 69.07 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.96 -30.78 31.53 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.833 0.853 . . . . 0.0 113.027 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m 70.79 -5.89 1.37 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.568 1.947 . . . . 0.0 114.575 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -95.83 3.67 53.51 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.569 1.548 . . . . 0.0 113.681 -171.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.5 t0 81.26 163.15 0.16 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.715 2.806 . . . . 0.0 112.787 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.183 1.393 . . . . 0.0 113.821 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 CA--C 1.542 0.877 0 N-CA-C 114.887 1.072 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.13 26.63 33.38 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 124.155 0.883 . . . . 0.0 112.505 -169.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -129.48 -30.55 2.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.03 1.332 . . . . 0.0 113.64 -165.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.81 -15.75 6.85 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.064 1.346 . . . . 0.0 112.576 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -79.7 142.82 35.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.442 1.897 . . . . 0.0 111.59 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.14 154.94 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.339 1.055 . . . . 0.0 110.097 174.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.02 90.76 3.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.474 1.11 . . . . 0.0 110.991 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.65 27.87 0.17 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -173.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -61.46 -15.06 33.85 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.451 -1.406 . . . . 0.0 113.638 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.48 -5.61 56.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.223 2.209 . . . . 0.0 113.538 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 142.4 96.87 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 120.75 -1.219 . . . . 0.0 113.213 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -69.54 156.26 64.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.985 2.457 . . . . 0.0 110.665 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.72 -25.74 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.69 -16.57 62.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.596 1.158 . . . . 0.0 113.928 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -91.57 -5.86 53.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.723 1.209 . . . . 0.0 113.106 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -104.32 145.55 30.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.83 134.15 34.27 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.981 168.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.97 -11.83 32.84 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.816 2.344 . . . . 0.0 115.763 -172.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -77.43 -55.21 5.58 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.318 1.417 . . . . 0.0 110.568 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.0 mmt -91.45 -13.59 32.02 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 66.7 15.26 10.08 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.014 2.126 . . . . 0.0 114.085 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -134.77 167.85 20.1 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.113 1.765 . . . . 0.0 111.703 -173.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.59 121.9 12.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.26 1.824 . . . . 0.0 111.463 -170.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -78.25 -38.96 41.65 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 p 67.36 -27.73 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 128.965 2.906 . . . . 0.0 115.03 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.71 80.53 40.28 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.193 1.797 . . . . 0.0 110.648 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.41 135.52 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.445 2.763 . . . . 0.0 111.043 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.81 134.04 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.33 1.852 . . . . 0.0 109.221 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.52 133.94 34.71 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.36 1.064 . . . . 0.0 110.715 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -82.94 163.71 49.83 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.01 1.724 . . . . 0.0 110.183 169.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.48 -21.96 59.61 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.375 2.716 . . . . 0.0 113.409 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 p -69.33 -12.15 61.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.839 1.656 . . . . 0.0 114.224 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.17 -6.61 82.5 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.021 1.772 . . . . 0.0 114.133 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -65.11 134.7 54.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.303 1.441 . . . . 0.0 110.499 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.56 137.54 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.455 1.102 . . . . 0.0 109.834 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.6 ttm -148.06 161.13 42.02 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.697 1.599 . . . . 0.0 110.876 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.3 134.48 46.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.726 . . . . 0.0 112.429 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -49.86 -54.75 17.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.039 1.736 . . . . 0.0 113.168 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.8 m -68.71 -36.23 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.311 0.645 . . . . 0.0 112.061 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.7 mt -70.14 -45.22 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.96 -1.087 . . . . 0.0 111.375 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -65.44 -41.07 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 120.222 1.374 . . . . 0.0 112.612 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.44 -32.73 71.85 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.68 1.127 . . . . 0.0 112.486 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -70.62 -34.54 72.21 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.6 0.636 . . . . 0.0 111.552 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -72.18 -39.43 68.66 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.735 0.698 . . . . 0.0 112.043 173.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.33 -36.61 68.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.588 1.155 . . . . 0.0 113.176 172.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.91 -30.25 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.197 0.999 . . . . 0.0 112.343 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.47 -50.77 7.45 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.423 1.089 . . . . 0.0 112.089 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.24 147.41 19.6 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.58 1.552 . . . . 0.0 111.909 -170.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -81.16 50.52 3.58 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.266 3.311 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -145.39 164.45 31.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.964 1.705 . . . . 0.0 112.593 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.27 132.84 87.71 Favored Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.147 2.179 . . . . 0.0 111.635 173.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -65.94 -18.71 57.78 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.604 3.536 . . . . 0.0 115.31 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -114.26 -43.42 3.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.481 1.112 . . . . 0.0 112.273 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -99.13 -22.67 15.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 -169.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 69.54 7.85 6.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 127.463 2.305 . . . . 0.0 114.585 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -58.8 151.93 20.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.755 1.222 . . . . 0.0 110.529 162.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.07 144.18 54.05 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.813 -0.555 . . . . 0.0 112.063 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.72 138.23 15.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.435 1.494 . . . . 0.0 110.341 -170.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.0 m -130.13 151.34 50.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.477 1.511 . . . . 0.0 110.163 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -40.83 64.24 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.158 1.383 . . . . 0.0 112.822 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -66.93 -13.12 61.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.863 1.265 . . . . 0.0 114.162 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mtt -91.97 -8.87 44.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.136 1.374 . . . . 0.0 112.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.81 150.25 24.68 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.231 1.412 . . . . 0.0 112.143 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -153.99 124.36 3.4 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.716 1.206 . . . . 0.0 110.808 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -56.25 141.54 88.3 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.75 2.966 . . . . 0.0 113.186 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 t -96.51 109.45 48.03 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.555 1.142 . . . . 0.0 110.643 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.49 -35.4 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.397 2.065 . . . . 0.0 112.435 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.63 -17.93 64.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt -94.79 -42.97 8.45 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.211 1.004 . . . . 0.0 111.685 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.78 -40.85 94.13 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.362 0.983 . . . . 0.0 112.409 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.39 -34.83 79.22 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.504 1.121 . . . . 0.0 112.132 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -73.34 -40.22 64.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.132 0.573 . . . . 0.0 112.328 174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mt -59.82 -51.25 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.061 0.944 . . . . 0.0 110.903 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.31 -32.25 73.55 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.45 79.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.406 0.682 . . . . 0.0 111.662 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -62.45 -46.9 86.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.367 0.667 . . . . 0.0 112.055 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.7 mtp -58.75 -40.0 82.57 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.84 0.746 . . . . 0.0 112.132 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.13 -39.38 89.81 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.526 0.73 . . . . 0.0 112.303 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.99 -40.9 87.49 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.969 0.804 . . . . 0.0 112.01 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -66.16 -29.35 69.63 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -62.8 -26.39 68.71 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.089 0.859 . . . . 0.0 112.465 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.5 m -73.68 -9.81 59.05 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.859 -1.15 . . . . 0.0 113.98 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -81.01 -7.34 59.53 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 120.719 -1.238 . . . . 0.0 113.043 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.83 156.6 29.16 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.994 1.718 . . . . 0.0 112.119 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.962 1.705 . . . . 0.0 111.485 179.142 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 113.7 0.615 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.42 -10.06 59.7 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 124.857 1.218 . . . . 0.0 113.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 m -140.34 159.13 42.87 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.072 1.749 . . . . 0.0 110.508 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.91 170.91 21.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.964 1.306 . . . . 0.0 112.231 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -158.84 163.7 36.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.311 1.844 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.21 145.15 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.264 1.025 . . . . 0.0 110.958 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -78.1 64.86 3.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.338 1.455 . . . . 0.0 113.028 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -70.49 -0.85 9.24 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -60.37 -17.76 45.73 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.621 -1.3 . . . . 0.0 112.464 164.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.94 -8.62 54.38 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.34 1.856 . . . . 0.0 113.904 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 153.0 90.22 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 124.699 1.199 . . . . 0.0 113.063 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -67.54 157.65 60.79 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.803 3.002 . . . . 0.0 111.276 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.62 -24.26 65.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.06 -16.54 61.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.829 1.252 . . . . 0.0 114.131 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -97.28 -19.61 18.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.632 1.573 . . . . 0.0 112.592 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -99.92 127.68 46.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.188 0.995 . . . . 0.0 111.73 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.03 135.2 58.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.592 0.757 . . . . 0.0 110.182 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -73.65 -14.02 24.63 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.654 2.236 . . . . 0.0 115.653 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -91.65 -39.0 12.1 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.066 1.303 . . . . 0.0 110.867 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.3 ttt -67.46 -32.73 73.78 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.203 1.001 . . . . 0.0 113.247 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 73.78 -2.87 2.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.753 2.821 . . . . 0.0 113.751 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -144.83 -177.2 5.4 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.115 1.766 . . . . 0.0 110.966 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.16 122.69 14.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.294 1.437 . . . . 0.0 111.833 -172.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.43 -33.33 74.94 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 m 72.23 -42.27 0.53 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.913 2.485 . . . . 0.0 112.346 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.38 86.4 33.48 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.207 2.203 . . . . 0.0 110.519 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -73.16 135.85 23.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.829 3.02 . . . . 0.0 112.126 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.57 129.1 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.115 1.366 . . . . 0.0 110.089 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -89.39 140.61 29.34 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.801 1.64 . . . . 0.0 111.859 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.04 158.26 32.11 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.649 2.38 . . . . 0.0 109.552 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.03 -21.55 56.26 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.796 2.997 . . . . 0.0 113.307 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.0 p -68.86 -11.27 60.35 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.332 1.453 . . . . 0.0 114.567 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.2 74.11 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.363 1.459 . . . . 0.0 113.737 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -72.21 147.79 46.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.694 1.197 . . . . 0.0 109.74 173.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -119.04 133.63 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.716 1.206 . . . . 0.0 109.456 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 tpp -125.16 162.61 24.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.737 2.015 . . . . 0.0 111.758 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.42 133.0 50.37 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 163.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -52.08 -50.19 62.05 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.378 1.471 . . . . 0.0 113.716 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -69.37 -38.55 78.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.525 -0.734 . . . . 0.0 111.776 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.25 -44.37 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.026 -1.046 . . . . 0.0 111.311 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.69 -45.29 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.537 1.062 . . . . 0.0 111.387 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.85 -35.52 78.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.2 0.909 . . . . 0.0 112.158 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -35.53 80.19 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.728 0.695 . . . . 0.0 112.165 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -69.06 -46.15 68.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.921 0.782 . . . . 0.0 111.256 173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.94 -34.82 68.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.106 1.362 . . . . 0.0 113.285 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -33.22 66.78 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 113.129 172.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -89.59 -52.17 5.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.261 1.025 . . . . 0.0 112.164 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -149.29 139.98 13.82 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.61 1.564 . . . . 0.0 110.831 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.85 71.84 6.4 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.539 2.826 . . . . 0.0 110.705 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -143.77 156.44 44.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.556 1.542 . . . . 0.0 112.459 -173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -68.15 129.95 92.75 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.21 1.004 . . . . 0.0 110.75 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.57 -18.39 59.12 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.226 2.617 . . . . 0.0 115.194 -171.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -116.23 -36.66 3.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.479 1.112 . . . . 0.0 113.139 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -96.92 -24.8 15.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.724 1.21 . . . . 0.0 112.887 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 64.73 17.47 10.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.957 2.103 . . . . 0.0 114.354 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -63.95 163.11 12.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.563 0.745 . . . . 0.0 110.228 158.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.8 ttp -63.6 142.77 58.27 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.363 0.529 . . . . 0.0 111.311 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.87 112.87 3.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.461 1.505 . . . . 0.0 109.9 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 m -102.88 150.72 23.23 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.291 1.436 . . . . 0.0 110.503 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.24 -28.17 64.64 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.259 1.024 . . . . 0.0 113.572 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 -16.7 64.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.963 1.305 . . . . 0.0 113.564 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.1 mmt -91.05 -5.98 54.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.689 1.195 . . . . 0.0 113.526 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -81.86 149.82 28.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.075 1.35 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -156.01 118.0 2.27 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.741 1.216 . . . . 0.0 110.852 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -57.02 139.14 89.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.823 3.015 . . . . 0.0 112.32 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.0 t -95.48 111.96 57.21 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.333 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -38.46 0.91 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.613 2.209 . . . . 0.0 112.153 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.08 -21.99 65.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.7 mt -89.19 -45.87 9.23 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.799 0.84 . . . . 0.0 111.149 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -56.63 -43.78 80.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.081 1.31 . . . . 0.0 112.692 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.15 -32.83 73.37 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.196 0.998 . . . . 0.0 112.868 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -73.43 -41.54 63.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.997 0.519 . . . . 0.0 112.031 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -60.93 -50.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.094 1.358 . . . . 0.0 111.444 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.13 -32.02 73.44 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.65 68.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.66 0.784 . . . . 0.0 111.265 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.34 -43.03 98.91 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.734 -0.604 . . . . 0.0 111.909 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mtp -59.64 -41.12 89.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.72 0.808 . . . . 0.0 112.244 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -59.82 -47.07 87.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.524 0.602 . . . . 0.0 111.629 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.12 -36.29 81.3 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.124 0.875 . . . . 0.0 112.603 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -72.04 -35.22 69.28 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.172 -0.955 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -83.2 -42.09 17.67 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.495 1.118 . . . . 0.0 112.155 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.6 m -89.08 24.85 1.99 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.906 1.282 . . . . 0.0 113.458 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 p -75.85 -17.07 59.96 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.197 1.399 . . . . 0.0 114.116 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.56 135.76 42.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.062 1.345 . . . . 0.0 112.329 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.823 1.649 . . . . 0.0 111.339 -177.123 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo . . . . . 0 CA--C 1.541 0.855 0 N-CA-C 113.608 0.58 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.05 2.97 68.3 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.698 1.142 . . . . 0.0 113.657 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -76.16 -16.84 59.79 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.924 1.289 . . . . 0.0 114.252 -172.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.4 157.53 30.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.474 1.91 . . . . 0.0 110.935 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -85.48 155.94 21.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.19 0.996 . . . . 0.0 111.833 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.02 142.3 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.085 0.954 . . . . 0.0 109.849 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -83.29 99.29 9.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.479 1.112 . . . . 0.0 110.402 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -77.31 43.31 0.37 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.116 1.766 . . . . 0.0 114.976 -168.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 m -59.18 -23.34 62.16 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.843 -1.161 . . . . 0.0 113.763 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.24 -3.4 52.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.183 1.793 . . . . 0.0 114.059 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 144.2 97.57 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.018 -1.051 . . . . 0.0 112.716 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.49 155.23 55.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.516 2.811 . . . . 0.0 110.42 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.7 -24.73 67.81 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.78 -18.12 62.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.313 1.045 . . . . 0.0 113.814 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -96.92 -3.38 41.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.574 1.15 . . . . 0.0 113.205 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.35 143.59 35.42 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.266 1.026 . . . . 0.0 111.705 -172.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.06 134.81 23.27 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.284 1.034 . . . . 0.0 110.194 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -72.49 -14.17 27.71 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.451 2.767 . . . . 0.0 115.54 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -83.78 -45.78 12.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.943 1.247 . . . . 0.0 109.134 168.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.4 ttt -66.54 -33.61 76.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.963 1.305 . . . . 0.0 113.831 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 74.84 2.98 4.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.579 2.751 . . . . 0.0 113.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -151.66 -177.36 6.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.65 1.98 . . . . 0.0 111.025 -174.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.58 8.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.097 1.759 . . . . 0.0 111.185 -173.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -68.77 -35.0 76.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 75.39 -40.78 0.43 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.685 2.394 . . . . 0.0 112.155 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -119.71 84.57 31.25 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.921 2.088 . . . . 0.0 110.595 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.56 134.57 24.53 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.874 2.383 . . . . 0.0 111.341 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.92 130.69 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.805 1.642 . . . . 0.0 109.682 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.78 140.84 29.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.254 1.022 . . . . 0.0 111.693 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.73 162.87 32.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.996 2.118 . . . . 0.0 111.147 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.68 -22.6 69.95 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.307 2.671 . . . . 0.0 113.077 174.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 p -72.6 -8.68 56.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.031 1.333 . . . . 0.0 114.029 172.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.47 -9.5 77.08 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.004 1.764 . . . . 0.0 113.875 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.5 m -68.42 144.34 54.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.005 1.722 . . . . 0.0 110.635 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -102.48 140.96 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.707 1.203 . . . . 0.0 109.84 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.3 ttm -144.18 162.86 35.25 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.266 1.827 . . . . 0.0 111.354 -175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.41 131.79 45.33 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.345 0.658 . . . . 0.0 112.092 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -49.25 -55.67 11.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.261 1.824 . . . . 0.0 113.167 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -68.48 -36.26 78.71 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.252 -0.905 . . . . 0.0 112.324 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.97 -42.64 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.153 0.981 . . . . 0.0 111.858 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.1 -43.67 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 120.432 1.469 . . . . 0.0 112.26 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.5 -33.32 73.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.506 1.048 . . . . 0.0 112.277 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -64.95 -43.29 93.19 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.842 0.857 . . . . 0.0 110.639 172.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -68.4 -41.35 80.59 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.587 -0.696 . . . . 0.0 111.946 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.49 -35.87 72.89 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.583 1.153 . . . . 0.0 113.388 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.39 -26.28 68.39 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.974 0.909 . . . . 0.0 112.753 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.65 -48.23 7.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.602 1.161 . . . . 0.0 112.418 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -151.55 145.08 17.52 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.514 1.526 . . . . 0.0 111.509 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.39 57.11 6.32 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.249 3.299 . . . . 0.0 111.368 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 p -147.7 162.47 39.1 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.839 1.656 . . . . 0.0 112.443 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.78 135.11 85.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.203 1.801 . . . . 0.0 112.064 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.59 -23.36 64.04 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.634 2.89 . . . . 0.0 115.764 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -105.33 -42.92 5.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.696 1.199 . . . . 0.0 112.598 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -103.37 -24.26 13.5 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 113.271 -170.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 68.79 15.42 8.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.429 1.892 . . . . 0.0 114.38 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.32 158.83 34.27 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.316 0.646 . . . . 0.0 110.9 161.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -64.0 142.29 58.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.914 0.886 . . . . 0.0 112.591 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.5 140.88 17.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.667 1.587 . . . . 0.0 108.936 -172.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.6 p -134.03 152.3 51.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.537 1.135 . . . . 0.0 112.505 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.56 -28.82 65.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 113.93 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.65 -18.19 63.56 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.868 1.267 . . . . 0.0 113.462 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.8 mmt -98.95 -3.33 35.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.385 1.474 . . . . 0.0 113.538 -175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.58 149.21 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.11 1.364 . . . . 0.0 111.903 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -157.84 131.45 4.8 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.495 1.518 . . . . 0.0 110.153 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.17 140.97 42.39 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.813 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.39 114.83 62.49 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 123.794 0.837 . . . . 0.0 110.953 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.35 -38.65 0.7 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.804 2.336 . . . . 0.0 113.095 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.19 -20.56 64.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.78 -45.59 8.33 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.394 1.078 . . . . 0.0 111.22 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -61.29 -37.81 84.55 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.764 1.165 . . . . 0.0 112.832 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.21 -34.94 77.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.685 1.194 . . . . 0.0 112.348 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -72.95 -40.24 65.52 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.488 -0.758 . . . . 0.0 111.744 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.57 -49.84 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.61 1.564 . . . . 0.0 111.536 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -31.61 72.29 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.696 0.68 . . . . 0.0 112.519 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.88 76.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.543 0.737 . . . . 0.0 111.846 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.63 -45.51 82.78 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.314 0.646 . . . . 0.0 112.317 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.2 mtm -58.73 -35.6 72.96 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.364 -0.835 . . . . 0.0 112.571 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -61.98 -38.31 88.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.608 0.763 . . . . 0.0 111.918 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.89 -28.62 68.47 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.796 0.725 . . . . 0.0 112.608 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -78.55 -34.17 47.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.7 -29.75 45.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.346 1.058 . . . . 0.0 112.056 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 t -60.07 141.55 55.57 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.717 0.807 . . . . 0.0 112.092 170.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.5 m 70.11 -26.3 0.16 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 127.648 2.379 . . . . 0.0 114.24 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.0 -48.4 36.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.755 1.222 . . . . 0.0 111.186 168.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 124.917 1.287 . . . . 0.0 111.573 171.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 114.224 0.817 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.4 -13.53 57.04 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.22 0.914 . . . . 0.0 114.003 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -95.73 -47.75 6.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.336 1.454 . . . . 0.0 112.243 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.6 -11.43 59.65 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.033 1.333 . . . . 0.0 114.492 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -138.52 148.62 44.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.215 1.406 . . . . 0.0 110.287 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mp -87.21 142.68 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.684 1.193 . . . . 0.0 109.15 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.13 107.44 13.93 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.447 0.642 . . . . 0.0 111.694 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -95.23 7.13 47.12 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.394 1.078 . . . . 0.0 113.568 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -64.87 -17.02 63.93 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.374 -1.454 . . . . 0.0 112.897 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.39 -8.49 54.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.37 1.868 . . . . 0.0 113.612 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 147.62 78.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 124.47 1.108 . . . . 0.0 113.044 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.16 157.33 57.7 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.954 3.103 . . . . 0.0 111.138 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -57.84 -28.74 64.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.545 1.138 . . . . 0.0 113.595 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.13 -16.8 61.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.605 1.162 . . . . 0.0 114.044 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -98.53 -5.22 32.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.613 1.165 . . . . 0.0 112.889 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -108.04 148.28 29.98 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.925 0.89 . . . . 0.0 112.9 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.2 162.28 64.73 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.682 173.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -91.92 -3.55 4.05 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.199 3.266 . . . . 0.0 116.176 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 tp -132.9 -53.04 0.92 Allowed 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 120.487 1.494 . . . . 0.0 113.566 -167.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.12 -25.46 62.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.606 1.563 . . . . 0.0 111.999 168.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 t0 59.38 55.46 4.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.973 2.509 . . . . 0.0 113.294 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 t -150.23 -178.43 6.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.956 1.702 . . . . 0.0 109.867 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.07 121.6 13.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.646 1.178 . . . . 0.0 109.437 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -72.56 -35.5 68.0 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 m 71.5 -31.7 0.23 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.016 2.527 . . . . 0.0 113.496 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -127.26 81.89 69.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 127.393 2.277 . . . . 0.0 110.188 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.17 136.07 26.17 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.186 2.59 . . . . 0.0 111.296 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -127.61 136.17 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.339 1.456 . . . . 0.0 110.45 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -88.18 125.84 34.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.475 2.31 . . . . 0.0 109.707 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -90.96 161.35 35.76 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.638 1.575 . . . . 0.0 109.747 168.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.14 -22.09 67.51 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 123.105 2.537 . . . . 0.0 114.044 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -73.7 -9.06 58.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.293 1.437 . . . . 0.0 114.21 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.89 1.4 79.96 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.781 1.658 . . . . 0.0 113.72 -172.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.6 m -69.12 140.07 54.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.928 1.291 . . . . 0.0 109.949 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.75 135.82 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.526 1.13 . . . . 0.0 109.514 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.2 ttm -142.25 160.9 39.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.061 1.744 . . . . 0.0 111.631 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -74.49 127.81 33.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.107 1.363 . . . . 0.0 110.746 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -48.61 -43.47 36.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 112.778 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -69.04 -31.17 69.76 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.471 -0.768 . . . . 0.0 112.352 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.59 -43.8 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.341 -0.849 . . . . 0.0 110.427 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.34 -40.38 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.796 0.725 . . . . 0.0 112.003 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.61 -37.25 79.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.395 0.998 . . . . 0.0 112.189 175.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -59.27 -42.87 92.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.352 0.661 . . . . 0.0 110.428 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -71.84 -41.66 67.88 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.72 -36.68 72.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.424 1.09 . . . . 0.0 112.989 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.06 -20.99 65.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.312 1.045 . . . . 0.0 113.316 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.17 -47.84 6.75 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.702 1.201 . . . . 0.0 112.115 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -154.69 150.75 22.18 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.534 1.534 . . . . 0.0 112.094 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.25 56.99 6.26 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.197 3.265 . . . . 0.0 111.512 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 p -140.68 158.42 44.0 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.158 1.783 . . . . 0.0 112.384 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.58 133.37 86.86 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.682 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.42 -20.17 54.79 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.619 2.879 . . . . 0.0 115.533 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -122.56 -34.07 3.31 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 113.212 -172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -95.81 -25.25 16.11 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.626 1.17 . . . . 0.0 112.744 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 65.13 16.63 10.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.021 2.128 . . . . 0.0 113.667 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.51 162.89 14.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.418 0.687 . . . . 0.0 110.637 159.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ttt -63.83 141.61 58.71 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.716 -0.615 . . . . 0.0 110.95 166.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -153.29 132.21 12.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.721 1.609 . . . . 0.0 109.428 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -127.14 152.93 46.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.204 1.402 . . . . 0.0 108.995 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.47 -22.85 35.09 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -64.66 -21.46 66.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.118 1.367 . . . . 0.0 113.871 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -91.76 -5.83 52.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.106 1.362 . . . . 0.0 112.683 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.73 153.91 20.34 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.925 1.29 . . . . 0.0 112.172 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.81 131.97 5.46 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.744 1.617 . . . . 0.0 109.1 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.85 142.68 39.63 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.134 2.556 . . . . 0.0 110.986 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.97 110.65 47.24 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 124.155 0.982 . . . . 0.0 110.719 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 -34.93 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.58 -44.44 8.21 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.982 0.913 . . . . 0.0 111.329 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -60.23 -37.88 81.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.441 1.019 . . . . 0.0 112.643 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.07 -35.25 79.41 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.427 1.091 . . . . 0.0 112.362 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.97 -42.19 63.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.109 0.564 . . . . 0.0 111.603 173.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.0 mt -60.58 -49.31 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.45 -33.01 74.94 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.031 0.832 . . . . 0.0 112.343 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.9 79.48 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.267 0.627 . . . . 0.0 111.494 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -65.59 -44.38 86.83 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.524 -0.735 . . . . 0.0 111.858 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.32 -43.25 99.18 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.645 0.778 . . . . 0.0 111.629 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -56.59 -47.65 79.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.867 0.758 . . . . 0.0 111.346 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.03 -43.72 94.72 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -58.9 -38.07 78.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 112.277 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -39.54 33.81 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.428 1.091 . . . . 0.0 112.773 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -75.33 -25.25 57.65 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.101 1.318 . . . . 0.0 113.488 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.7 m -79.93 -7.79 58.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.827 1.251 . . . . 0.0 113.988 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.98 144.12 54.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.507 1.123 . . . . 0.0 112.569 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.255 1.343 0 C-N-CA 126.25 1.82 . . . . 0.0 111.564 -179.221 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 CA--C 1.54 0.825 0 N-CA-C 114.135 0.783 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.22 -0.83 87.24 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 124.791 1.186 . . . . 0.0 114.77 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -69.12 -13.85 62.66 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.504 1.522 . . . . 0.0 114.169 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.54 157.01 43.24 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.135 1.774 . . . . 0.0 111.451 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -165.33 162.55 19.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.988 1.715 . . . . 0.0 111.851 -174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -83.6 137.84 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.533 1.133 . . . . 0.0 109.182 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -78.46 124.35 28.03 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.987 0.915 . . . . 0.0 111.407 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -105.8 22.88 14.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -61.46 -17.31 53.87 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.354 -1.466 . . . . 0.0 112.987 171.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -75.3 -9.03 58.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.021 1.728 . . . . 0.0 113.724 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.07 142.55 98.22 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.825 0.85 . . . . 0.0 112.327 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -70.94 157.12 58.94 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.711 2.941 . . . . 0.0 111.585 177.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.42 -26.11 66.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.568 1.147 . . . . 0.0 114.016 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.45 -15.79 62.35 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.44 1.096 . . . . 0.0 113.945 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -100.52 -0.55 37.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.161 1.384 . . . . 0.0 112.518 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -116.01 145.8 42.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.013 1.325 . . . . 0.0 112.166 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -95.28 135.06 23.61 Favored Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 123.862 0.865 . . . . 0.0 110.931 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.92 -11.35 29.21 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.544 2.163 . . . . 0.0 115.497 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.21 -58.93 2.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.874 1.67 . . . . 0.0 109.915 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.4 mmt -85.55 -16.67 38.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.88 24.88 14.79 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 113.622 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -140.84 169.99 16.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.76 1.624 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 120.14 10.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.543 1.537 . . . . 0.0 111.013 -170.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -77.54 -27.46 51.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -171.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.5 p 57.18 -20.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.229 3.412 . . . . 0.0 117.294 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -128.62 77.19 77.8 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.339 2.255 . . . . 0.0 109.733 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.79 135.0 27.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.264 2.643 . . . . 0.0 110.374 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -131.34 133.82 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.142 1.777 . . . . 0.0 109.796 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -88.8 133.57 34.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.0 mt -94.02 160.31 32.56 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.755 2.022 . . . . 0.0 110.345 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.4 -21.55 60.67 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.215 2.61 . . . . 0.0 113.514 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -70.04 -10.48 58.83 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.994 1.317 . . . . 0.0 114.286 170.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.42 -6.23 82.39 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.9 1.714 . . . . 0.0 113.628 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -68.84 143.9 54.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.714 1.606 . . . . 0.0 110.103 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.5 137.31 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.451 1.101 . . . . 0.0 109.742 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 tpp -133.74 157.62 45.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.016 2.126 . . . . 0.0 110.453 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -71.3 125.44 26.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 110.078 167.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -43.57 -50.79 7.16 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.785 1.634 . . . . 0.0 113.236 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -70.29 -30.35 67.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 -173.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.27 -41.45 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.799 0.839 . . . . 0.0 110.664 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.12 -44.19 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.488 1.04 . . . . 0.0 111.953 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.5 -31.61 72.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.677 1.126 . . . . 0.0 112.699 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -68.11 -33.52 74.67 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.324 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -75.77 -43.05 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.477 -0.764 . . . . 0.0 111.779 172.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.87 -35.89 73.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.518 1.127 . . . . 0.0 113.353 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.3 tp -55.69 -32.49 63.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 112.994 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.47 -50.46 5.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.391 1.077 . . . . 0.0 112.231 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -151.11 147.78 21.32 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.973 1.309 . . . . 0.0 112.046 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -80.51 59.63 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.043 3.162 . . . . 0.0 111.039 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -141.26 153.32 45.16 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.595 1.158 . . . . 0.0 113.68 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 140.16 94.48 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 125.269 1.428 . . . . 0.0 111.742 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.32 -18.56 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.663 2.909 . . . . 0.0 116.268 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -121.42 -23.47 5.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -174.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -120.92 -24.68 5.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 0.0 112.933 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 67.05 22.61 9.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.049 1.74 . . . . 0.0 113.645 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.75 166.92 6.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.187 0.595 . . . . 0.0 110.541 159.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tpt -58.18 137.86 56.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.282 1.033 . . . . 0.0 111.526 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 139.61 15.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 109.657 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 m -140.81 153.06 45.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.191 1.396 . . . . 0.0 109.815 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.83 -23.14 60.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 p -74.11 -15.28 61.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.087 1.355 . . . . 0.0 113.837 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.6 mtt -86.37 -10.35 54.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.184 1.394 . . . . 0.0 113.314 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.33 151.91 23.67 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.898 1.679 . . . . 0.0 112.549 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -155.88 123.27 2.76 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.114 1.366 . . . . 0.0 110.169 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.2 139.46 90.08 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.825 3.017 . . . . 0.0 113.133 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -90.99 113.58 58.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.769 1.227 . . . . 0.0 110.332 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -76.28 -39.53 0.81 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.622 2.215 . . . . 0.0 112.28 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.98 -20.27 65.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -92.06 -45.27 8.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.939 0.896 . . . . 0.0 111.53 170.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.15 -40.03 94.61 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.717 1.144 . . . . 0.0 112.48 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -67.29 -32.1 72.86 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.393 1.077 . . . . 0.0 112.536 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -73.01 -41.77 63.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.651 0.659 . . . . 0.0 112.532 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.75 -46.87 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.684 1.193 . . . . 0.0 111.947 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.64 -32.68 74.38 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.95 71.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.612 0.765 . . . . 0.0 111.7 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -64.88 -47.04 79.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.033 0.933 . . . . 0.0 112.22 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.0 mtm -58.8 -40.18 83.33 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.982 0.81 . . . . 0.0 111.662 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -64.59 -41.92 95.92 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.126 0.57 . . . . 0.0 112.009 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.55 -36.38 83.59 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.929 0.786 . . . . 0.0 112.663 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -71.0 -28.94 64.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.107 -0.995 . . . . 0.0 112.845 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -82.7 -32.91 27.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.614 1.565 . . . . 0.0 113.535 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.7 p -75.38 12.25 1.02 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -72.81 71.97 1.05 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.749 1.619 . . . . 0.0 111.6 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 90.03 158.47 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 130.422 3.489 . . . . 0.0 113.132 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.272 1.429 . . . . 0.0 112.527 -177.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 114.223 0.816 . . . . 0.0 114.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.82 -16.15 52.02 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.231 1.396 . . . . 0.0 114.044 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -162.22 146.11 12.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.493 2.317 . . . . 0.0 109.7 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.82 149.65 14.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.522 1.529 . . . . 0.0 110.888 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.51 158.1 5.06 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.227 -175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -85.66 144.26 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.419 1.088 . . . . 0.0 109.44 167.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.0 89.01 4.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.08 0.952 . . . . 0.0 111.486 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.79 31.43 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.836 1.655 . . . . 0.0 114.054 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -62.39 -21.35 65.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.491 -1.381 . . . . 0.0 113.539 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -79.02 -4.93 52.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.756 1.622 . . . . 0.0 114.553 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 134.65 91.49 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-N 119.186 0.903 . . . . 0.0 112.272 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -70.08 157.19 60.56 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.524 2.816 . . . . 0.0 110.902 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.65 -28.73 67.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.88 -15.38 62.62 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -92.81 -9.25 41.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.347 1.059 . . . . 0.0 112.873 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -102.12 148.63 25.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.846 1.258 . . . . 0.0 112.208 -173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -100.61 134.2 20.75 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.041 0.936 . . . . 0.0 110.71 167.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -69.55 -10.78 29.6 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.913 2.409 . . . . 0.0 116.162 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.95 -48.82 13.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.094 1.77 . . . . 0.0 111.375 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.42 -19.24 31.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.7 t70 67.7 13.85 9.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.372 2.269 . . . . 0.0 113.617 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t -146.79 -179.61 6.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.04 1.736 . . . . 0.0 110.971 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 120.19 7.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.409 1.884 . . . . 0.0 112.397 -168.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -73.47 -34.59 65.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m 71.87 -39.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.293 2.637 . . . . 0.0 112.7 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -118.64 84.13 23.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.545 2.338 . . . . 0.0 110.808 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.11 135.13 22.41 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.56 2.84 . . . . 0.0 111.952 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.74 129.45 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.233 1.813 . . . . 0.0 109.828 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -90.1 135.82 33.42 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.938 2.095 . . . . 0.0 112.06 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.18 160.8 24.87 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.885 2.074 . . . . 0.0 110.143 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -69.31 -21.35 35.71 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.865 3.043 . . . . 0.0 113.251 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 p -66.58 -11.57 53.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.477 1.511 . . . . 0.0 113.785 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.94 76.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.756 1.646 . . . . 0.0 113.822 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -65.94 141.88 58.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.477 1.511 . . . . 0.0 110.078 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -110.77 136.62 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.484 1.113 . . . . 0.0 108.986 168.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.3 ttm -138.68 159.64 41.6 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.456 1.902 . . . . 0.0 110.914 -170.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.79 125.34 25.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.601 1.16 . . . . 0.0 110.949 171.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -46.69 -54.22 10.08 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.295 1.838 . . . . 0.0 112.568 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 m -69.35 -36.14 76.58 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.555 -0.716 . . . . 0.0 111.376 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.15 -47.57 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.58 0.627 . . . . 0.0 110.77 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.17 -43.91 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.525 1.057 . . . . 0.0 112.367 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.47 -33.39 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.82 1.191 . . . . 0.0 112.249 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.97 -44.36 92.96 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.662 0.665 . . . . 0.0 110.364 172.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -66.2 -41.39 90.27 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.677 -0.639 . . . . 0.0 112.038 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -35.6 71.7 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.041 0.936 . . . . 0.0 113.521 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.7 -22.07 66.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.872 0.869 . . . . 0.0 113.339 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.48 -50.4 5.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.546 1.138 . . . . 0.0 112.108 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.2 m -150.26 143.36 16.47 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.373 1.469 . . . . 0.0 111.725 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -79.97 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.04 3.16 . . . . 0.0 110.965 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -143.79 158.8 43.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.491 1.516 . . . . 0.0 112.622 -169.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.17 126.5 91.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.808 1.243 . . . . 0.0 110.411 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -60.98 -24.71 80.13 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.851 3.034 . . . . 0.0 115.328 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.12 -42.65 5.03 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.168 0.987 . . . . 0.0 112.881 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -93.87 -26.14 17.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.0 0.92 . . . . 0.0 112.661 -172.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 75.65 4.93 3.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.998 2.519 . . . . 0.0 114.373 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -62.32 160.91 12.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.751 0.705 . . . . 0.0 110.778 166.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 90.2 mtp -69.32 148.9 49.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.3 0.572 . . . . 0.0 111.678 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -161.8 137.65 7.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.789 1.636 . . . . 0.0 108.469 -170.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.9 p -130.49 163.2 27.53 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.776 1.23 . . . . 0.0 112.748 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.84 -27.23 50.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.465 1.506 . . . . 0.0 114.164 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -75.42 -13.61 60.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.856 1.262 . . . . 0.0 113.832 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.0 mtt -92.47 -7.15 48.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.339 1.456 . . . . 0.0 113.303 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.86 154.04 21.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.255 1.422 . . . . 0.0 112.559 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -161.56 126.71 2.17 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.429 1.492 . . . . 0.0 110.001 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -71.68 141.62 38.12 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.028 2.485 . . . . 0.0 111.776 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.55 117.86 67.78 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.631 0.772 . . . . 0.0 110.457 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.53 -39.86 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 113.247 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.29 -33.26 75.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.975 0.807 . . . . 0.0 112.439 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.19 -46.03 24.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.657 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.22 -42.24 98.27 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.981 1.264 . . . . 0.0 112.251 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.78 -34.75 78.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.464 1.105 . . . . 0.0 111.842 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.6 -42.08 64.92 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.711 -0.618 . . . . 0.0 112.435 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.69 -50.98 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.007 1.323 . . . . 0.0 111.472 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -64.32 -32.48 74.1 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.9 -45.07 79.12 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.404 0.682 . . . . 0.0 111.617 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.01 -39.87 87.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.85 0.86 . . . . 0.0 112.344 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.9 mtp -61.3 -40.34 93.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.916 0.887 . . . . 0.0 111.666 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -40.04 88.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.364 0.665 . . . . 0.0 111.504 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -64.33 -36.59 84.6 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.035 0.934 . . . . 0.0 112.516 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -68.91 -32.39 71.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.387 1.075 . . . . 0.0 113.064 171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -79.8 -35.98 37.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.812 1.245 . . . . 0.0 112.564 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -58.51 137.31 57.47 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.28 -0.887 . . . . 0.0 112.677 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m 72.84 1.0 3.86 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.931 2.092 . . . . 0.0 115.057 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -66.44 136.34 55.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.313 1.045 . . . . 0.0 112.623 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.272 1.829 . . . . 0.0 111.446 -178.229 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 N--CA 1.481 0.74 0 N-CA-C 113.678 0.607 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.98 15.05 55.48 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.395 1.474 . . . . 0.0 115.31 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -23.33 67.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.474 1.509 . . . . 0.0 114.288 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.2 143.45 19.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.923 1.689 . . . . 0.0 110.911 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 66.47 171.73 0.24 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.505 2.322 . . . . 0.0 113.792 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -91.97 142.16 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.396 1.479 . . . . 0.0 109.57 173.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.11 123.26 24.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.276 0.63 . . . . 0.0 111.158 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -119.36 19.75 12.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.786 1.235 . . . . 0.0 113.336 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.8 m -67.23 -17.91 65.01 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.428 -1.42 . . . . 0.0 112.213 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.87 -8.68 58.41 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.256 1.822 . . . . 0.0 113.596 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.25 143.92 94.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 121.051 -1.031 . . . . 0.0 111.93 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.57 156.93 57.11 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.475 2.783 . . . . 0.0 111.243 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.83 -20.4 65.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.346 1.059 . . . . 0.0 113.716 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -18.89 61.28 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.078 0.951 . . . . 0.0 113.406 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -97.34 -8.55 29.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 113.293 173.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -108.79 136.87 47.64 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.675 1.19 . . . . 0.0 112.098 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.97 138.31 49.71 Favored Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.407 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.15 -15.19 45.75 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.957 2.438 . . . . 0.0 116.146 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -84.3 -60.44 2.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.636 1.562 . . . . 0.0 110.896 172.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -87.4 -12.83 45.09 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 68.64 -1.62 1.91 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.967 2.507 . . . . 0.0 114.393 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -104.78 166.29 10.49 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.246 1.818 . . . . 0.0 111.862 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.63 118.9 8.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.626 1.57 . . . . 0.0 110.006 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -70.64 -31.2 68.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p 59.66 -29.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 130.075 3.35 . . . . 0.0 116.409 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.51 80.64 30.66 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 127.398 2.279 . . . . 0.0 109.6 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.82 134.81 22.45 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.128 2.552 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -131.38 132.5 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.411 1.484 . . . . 0.0 109.694 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -88.95 135.94 33.28 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.66 1.584 . . . . 0.0 110.736 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.2 161.23 33.55 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.863 2.065 . . . . 0.0 110.407 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.52 -22.28 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.425 2.75 . . . . 0.0 113.265 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -71.58 -8.52 54.52 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.258 1.423 . . . . 0.0 114.21 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -11.38 71.76 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.9 1.714 . . . . 0.0 113.877 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 m -67.52 146.6 53.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.417 1.887 . . . . 0.0 110.19 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.9 t -111.44 139.99 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.539 1.136 . . . . 0.0 110.079 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.6 tpp -140.61 162.97 34.11 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.987 2.115 . . . . 0.0 111.628 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.28 129.58 40.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.602 1.161 . . . . 0.0 112.16 172.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -49.85 -53.39 25.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.137 1.775 . . . . 0.0 113.803 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.15 -36.29 79.44 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.867 0.467 . . . . 0.0 111.602 -174.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -70.76 -45.16 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.706 0.803 . . . . 0.0 110.895 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.14 -46.04 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.402 1.001 . . . . 0.0 112.156 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.22 -32.72 73.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.277 0.944 . . . . 0.0 112.214 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.61 -34.57 74.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.869 0.758 . . . . 0.0 112.136 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -73.04 -35.61 66.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.157 0.89 . . . . 0.0 112.361 173.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.19 -35.42 73.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.388 0.994 . . . . 0.0 112.926 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.81 -19.59 64.29 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.996 0.918 . . . . 0.0 113.38 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -87.8 -43.32 11.94 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.831 1.252 . . . . 0.0 112.799 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -164.3 153.87 12.16 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.562 1.945 . . . . 0.0 111.006 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.25 58.45 6.64 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.328 3.352 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -147.96 158.5 44.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.766 1.627 . . . . 0.0 112.927 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.17 125.88 90.64 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 126.625 1.97 . . . . 0.0 111.579 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -59.35 -27.07 84.02 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.285 2.656 . . . . 0.0 115.319 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.16 -4.81 25.23 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -159.33 -17.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 74.99 25.56 1.37 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.353 1.861 . . . . 0.0 114.228 169.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -60.81 155.74 18.79 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.872 -0.518 . . . . 0.0 109.852 157.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -64.37 135.48 56.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 110.703 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.54 146.03 28.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.105 1.362 . . . . 0.0 109.977 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 m -144.89 154.07 42.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.963 1.705 . . . . 0.0 109.14 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.44 -23.51 57.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 p -74.28 -15.5 60.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.128 1.371 . . . . 0.0 113.798 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.3 mmt -86.87 -10.52 53.22 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.164 1.386 . . . . 0.0 112.928 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.29 154.33 21.33 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.399 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -156.38 125.32 3.03 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 109.971 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.67 138.48 35.01 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.429 2.086 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.3 t -91.0 117.25 67.78 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.608 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.7 -38.44 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.576 2.184 . . . . 0.0 113.031 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.34 -38.68 90.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.453 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.08 -44.03 61.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.593 -0.692 . . . . 0.0 111.519 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.05 -43.32 99.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.989 1.268 . . . . 0.0 112.268 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.66 -36.9 84.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.983 1.313 . . . . 0.0 111.861 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -73.04 -36.95 67.03 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.57 -0.706 . . . . 0.0 112.9 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.75 -48.82 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.538 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.79 -32.24 73.4 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.809 0.731 . . . . 0.0 112.332 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.03 86.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.754 0.706 . . . . 0.0 112.372 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -71.9 -48.07 48.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.784 0.834 . . . . 0.0 111.817 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 54.6 mtm -58.15 -33.27 69.01 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 113.411 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -54.82 -45.54 74.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.706 0.802 . . . . 0.0 111.325 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -72.64 -24.22 61.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.714 -0.616 . . . . 0.0 112.53 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.94 -31.99 63.3 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.116 -0.99 . . . . 0.0 113.4 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -101.19 -20.33 15.33 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.7 m -79.55 59.31 2.94 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.5 1.12 . . . . 0.0 112.36 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 p -74.83 -19.13 60.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.736 1.214 . . . . 0.0 113.416 175.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -100.91 144.59 29.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.094 1.758 . . . . 0.0 111.618 171.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.535 0 C-N-CA 125.632 1.573 . . . . 0.0 112.825 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 CA--C 1.539 0.759 0 N-CA-C 113.619 0.584 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.93 66.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.186 0.898 . . . . 0.0 113.77 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -76.27 -9.31 58.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -167.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.47 158.11 34.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.173 1.389 . . . . 0.0 113.003 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -65.81 150.1 49.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.54 1.536 . . . . 0.0 112.257 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.5 136.7 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.268 1.027 . . . . 0.0 109.788 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.48 126.88 31.38 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.044 0.938 . . . . 0.0 111.109 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -107.01 27.81 8.64 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -60.56 -18.88 55.34 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.273 -1.517 . . . . 0.0 113.553 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -73.73 -8.65 56.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.369 1.468 . . . . 0.0 113.74 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 140.93 97.07 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.231 -0.918 . . . . 0.0 111.737 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.55 157.44 52.65 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.89 3.06 . . . . 0.0 111.439 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.97 -27.97 67.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.657 1.183 . . . . 0.0 113.367 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.16 -17.83 62.52 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -97.61 -0.5 45.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.937 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -117.4 148.92 41.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.449 1.1 . . . . 0.0 112.662 -171.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.24 149.48 65.92 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 123.764 0.825 . . . . 0.0 111.636 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.71 -37.73 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.062 2.508 . . . . 0.0 113.111 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.57 -43.76 18.25 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.185 0.994 . . . . 0.0 112.397 -172.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 97.5 mtp -90.67 -11.66 39.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t0 58.2 30.91 20.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.031 2.133 . . . . 0.0 114.411 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -126.24 164.02 21.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.865 1.266 . . . . 0.0 111.91 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.82 115.44 8.16 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.098 1.359 . . . . 0.0 108.345 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -72.37 -31.06 65.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -164.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 p 57.06 -19.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 129.911 3.285 . . . . 0.0 116.821 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -129.81 76.56 78.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.906 2.082 . . . . 0.0 110.463 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.8 135.8 26.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.728 2.952 . . . . 0.0 111.078 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -133.21 133.88 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.365 1.866 . . . . 0.0 109.55 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -90.38 142.76 27.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.72 162.0 32.43 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 127.709 2.403 . . . . 0.0 109.614 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.94 -22.39 42.23 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.538 2.826 . . . . 0.0 112.79 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 m -70.87 -6.66 39.88 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.63 79.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.066 1.793 . . . . 0.0 114.596 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -69.86 152.01 45.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.506 2.323 . . . . 0.0 111.739 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.8 142.31 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.714 1.206 . . . . 0.0 110.908 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 tpp -140.1 164.41 30.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.331 1.852 . . . . 0.0 111.432 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.3 137.5 53.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.386 1.074 . . . . 0.0 111.954 169.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -53.27 -47.96 68.69 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.791 1.236 . . . . 0.0 113.444 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -70.4 -39.48 74.47 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.703 -0.623 . . . . 0.0 112.626 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.06 -44.01 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.319 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -66.35 -43.16 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.162 0.892 . . . . 0.0 112.092 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.71 -33.75 72.93 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.807 1.185 . . . . 0.0 112.138 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -62.01 -41.91 98.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.98 0.912 . . . . 0.0 111.014 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -68.47 -42.88 78.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.137 0.426 . . . . 0.0 112.085 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.42 -34.61 77.1 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.83 -29.32 66.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.999 0.92 . . . . 0.0 112.572 171.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -88.88 -52.57 5.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.37 1.068 . . . . 0.0 112.33 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.0 m -150.81 141.17 14.44 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.315 1.446 . . . . 0.0 111.827 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -79.67 58.83 7.15 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 124.527 3.485 . . . . 0.0 111.593 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.7 p -141.7 160.49 40.08 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.162 2.185 . . . . 0.0 111.735 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.02 136.26 91.88 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 124.735 1.214 . . . . 0.0 111.721 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.95 -14.28 43.11 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.073 3.182 . . . . 0.0 115.358 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -129.46 -32.43 1.96 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -23.83 16.72 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.776 1.23 . . . . 0.0 112.276 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 67.12 10.98 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.147 2.179 . . . . 0.0 115.114 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.43 155.97 35.99 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.545 0.738 . . . . 0.0 110.035 164.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.93 141.63 57.9 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.336 0.516 . . . . 0.0 112.19 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -151.38 126.81 10.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.269 1.028 . . . . 0.0 110.758 -173.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -123.29 153.39 40.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.152 1.781 . . . . 0.0 109.651 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.73 -26.21 61.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 113.363 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 p -66.83 -16.57 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.947 1.299 . . . . 0.0 114.209 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mmt -87.66 -11.6 47.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.73 1.212 . . . . 0.0 113.43 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.2 mt -84.87 147.94 26.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.16 1.384 . . . . 0.0 112.43 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -160.58 131.73 3.86 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.531 1.533 . . . . 0.0 109.676 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.83 142.39 39.12 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.973 2.449 . . . . 0.0 111.481 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.89 113.96 62.49 Favored Pre-proline 0 N--CA 1.48 1.075 0 C-N-CA 124.569 1.148 . . . . 0.0 110.541 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.17 -37.54 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.895 2.396 . . . . 0.0 112.978 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.55 -33.97 76.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.61 1.096 . . . . 0.0 112.863 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -78.09 -41.15 36.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.566 0.746 . . . . 0.0 111.453 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.51 -41.41 98.51 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.249 1.386 . . . . 0.0 112.365 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.38 -31.39 70.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.63 1.172 . . . . 0.0 112.538 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -73.16 -42.23 63.01 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.618 0.645 . . . . 0.0 112.495 171.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.92 -49.38 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.79 1.236 . . . . 0.0 111.08 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.65 -32.98 74.88 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.487 -0.768 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.73 -44.12 74.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.304 0.956 . . . . 0.0 111.845 175.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.24 -44.12 92.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.275 0.63 . . . . 0.0 112.203 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.0 mtm -62.43 -39.31 92.9 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.427 -0.796 . . . . 0.0 112.021 172.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -61.12 -43.11 99.38 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 112.168 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.04 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.204 0.911 . . . . 0.0 112.434 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -68.38 -36.62 79.44 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.804 0.841 . . . . 0.0 112.532 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -83.06 -34.72 26.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.606 1.562 . . . . 0.0 113.393 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.3 m -64.04 115.55 5.04 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.033 0.833 . . . . 0.0 113.105 -173.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 t -86.49 -32.29 20.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.408 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.92 155.9 28.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.798 1.639 . . . . 0.0 112.577 174.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.086 1.754 . . . . 0.0 111.681 -176.336 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo . . . . . 0 CA--C 1.541 0.827 0 N-CA-C 113.538 0.553 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.01 -9.06 68.22 Favored Glycine 0 N--CA 1.477 1.416 0 C-N-CA 124.588 1.09 . . . . 0.0 113.755 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -160.22 166.04 30.38 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.788 2.035 . . . . 0.0 110.781 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.26 172.5 17.9 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 -172.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -156.86 162.02 39.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.685 1.994 . . . . 0.0 110.605 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.6 mm -109.12 147.64 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.056 1.343 . . . . 0.0 110.424 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -75.16 108.17 7.74 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.129 1.372 . . . . 0.0 111.161 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.71 25.06 2.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.882 1.273 . . . . 0.0 113.943 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -60.34 -21.38 62.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.96 1.304 . . . . 0.0 113.717 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -77.8 -6.54 54.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.301 1.44 . . . . 0.0 113.723 175.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.85 141.97 95.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 119.069 0.85 . . . . 0.0 112.492 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.62 158.23 51.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.708 2.938 . . . . 0.0 111.269 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.08 -16.9 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.59 -18.36 51.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.556 1.143 . . . . 0.0 113.689 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -99.6 -21.19 15.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.142 1.377 . . . . 0.0 112.696 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -92.57 131.99 37.23 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 111.257 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.35 137.42 55.97 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.18 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.85 -35.63 55.1 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.652 2.235 . . . . 0.0 114.601 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -85.5 -37.7 19.39 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.181 0.992 . . . . 0.0 111.229 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.87 -30.22 66.54 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.414 0.686 . . . . 0.0 112.647 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t0 55.77 37.09 28.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.551 2.34 . . . . 0.0 112.742 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -163.65 169.24 18.82 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.565 1.946 . . . . 0.0 110.498 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.46 120.31 10.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.571 1.548 . . . . 0.0 110.372 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -173.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 p 65.48 -26.12 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.131 2.972 . . . . 0.0 114.936 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.72 82.42 63.86 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.655 1.982 . . . . 0.0 110.371 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.01 135.06 22.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.873 3.049 . . . . 0.0 111.062 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.55 130.86 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.97 1.308 . . . . 0.0 110.107 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 ttp-105 -89.51 138.13 31.73 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.169 1.788 . . . . 0.0 111.356 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -100.78 162.32 21.05 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 126.06 1.744 . . . . 0.0 110.683 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.96 -22.48 55.53 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.162 2.575 . . . . 0.0 113.818 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.8 p -77.41 -0.77 27.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.319 1.447 . . . . 0.0 114.397 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.34 -3.4 85.4 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.45 1.5 . . . . 0.0 114.448 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -71.4 150.1 45.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.868 2.067 . . . . 0.0 111.006 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.3 t -128.42 126.77 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 109.76 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -130.62 166.87 19.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.799 1.64 . . . . 0.0 111.453 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.44 136.8 57.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.223 1.409 . . . . 0.0 112.685 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -52.19 -49.53 63.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.104 1.762 . . . . 0.0 113.189 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.9 m -69.64 -37.72 76.87 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.759 -0.588 . . . . 0.0 111.794 -176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.28 -44.68 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.57 -42.08 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.743 1.156 . . . . 0.0 112.407 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.8 -32.01 68.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.048 0.84 . . . . 0.0 112.442 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -66.47 -47.34 73.4 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.789 0.722 . . . . 0.0 110.815 172.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -63.02 -34.68 78.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.55 0.614 . . . . 0.0 112.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -55.54 -34.83 65.05 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.235 1.014 . . . . 0.0 113.49 172.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.41 -27.33 63.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.98 0.912 . . . . 0.0 112.73 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -78.03 -42.91 30.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.949 0.899 . . . . 0.0 111.702 174.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -167.53 154.14 7.73 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 126.564 1.946 . . . . 0.0 111.239 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.02 62.43 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.284 3.323 . . . . 0.0 110.802 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 p -145.31 158.9 43.73 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.857 1.663 . . . . 0.0 112.33 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -66.65 136.05 94.64 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 127.143 2.177 . . . . 0.0 111.261 172.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -20.1 50.73 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.783 2.989 . . . . 0.0 115.26 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -120.03 -38.46 2.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.261 0.937 . . . . 0.0 113.355 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -93.84 -23.22 18.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.304 0.641 . . . . 0.0 112.496 -174.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 63.44 15.23 8.59 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.195 2.198 . . . . 0.0 114.473 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -60.58 152.57 25.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.075 160.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 139.14 58.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.185 0.594 . . . . 0.0 111.801 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.78 135.91 13.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.804 1.241 . . . . 0.0 109.913 -167.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 p -128.75 157.57 41.06 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.757 1.623 . . . . 0.0 111.651 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.14 -24.12 62.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.657 1.583 . . . . 0.0 114.224 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -75.1 -16.49 60.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.964 1.306 . . . . 0.0 113.573 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.5 mmm -91.05 -6.42 53.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.015 1.326 . . . . 0.0 113.364 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.8 152.81 19.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.723 1.609 . . . . 0.0 112.282 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -160.27 132.85 4.46 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.254 1.422 . . . . 0.0 109.929 173.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 143.74 53.65 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.874 2.383 . . . . 0.0 111.56 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.8 t -93.52 111.63 53.17 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.141 0.976 . . . . 0.0 110.834 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.82 -35.71 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.625 2.217 . . . . 0.0 113.011 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.26 -30.72 71.21 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.99 0.814 . . . . 0.0 112.884 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -77.74 -43.79 29.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.741 0.7 . . . . 0.0 111.208 170.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.1 -40.49 97.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.174 0.897 . . . . 0.0 112.734 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.05 -33.09 73.92 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.516 1.126 . . . . 0.0 112.125 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.67 -41.91 62.04 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -58.96 -49.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -64.93 -32.44 74.15 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.85 79.73 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.683 0.674 . . . . 0.0 111.906 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -66.49 -42.72 87.01 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.354 0.661 . . . . 0.0 111.997 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.12 -38.75 83.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.278 1.031 . . . . 0.0 112.244 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -68.07 -43.63 78.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.574 1.15 . . . . 0.0 111.678 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.46 -39.64 94.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 111.895 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -60.34 -17.84 45.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.379 1.472 . . . . 0.0 114.759 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -77.9 -23.28 48.76 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.035 -1.041 . . . . 0.0 112.038 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.0 m -110.37 -3.47 16.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.638 1.575 . . . . 0.0 113.766 -175.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.4 p -77.08 11.68 1.73 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.978 1.711 . . . . 0.0 115.256 -172.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.74 -27.57 68.99 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.981 1.312 . . . . 0.0 113.051 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.5 t60 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.337 1.455 . . . . 0.0 111.849 175.486 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 CA--C 1.543 0.958 0 N-CA-C 112.983 0.34 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.57 -31.24 10.53 Favored Glycine 0 N--CA 1.477 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 113.278 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -86.37 -21.79 27.0 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.003 0.901 . . . . 0.0 113.181 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.53 154.7 10.23 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.33 2.252 . . . . 0.0 110.634 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -129.21 163.54 25.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.839 1.656 . . . . 0.0 111.032 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.46 139.55 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.916 1.286 . . . . 0.0 109.565 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -83.78 128.6 34.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.125 0.97 . . . . 0.0 111.279 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -111.58 23.18 14.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -63.13 -13.96 42.9 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.117 -1.614 . . . . 0.0 113.657 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -76.87 -6.23 51.61 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.906 2.082 . . . . 0.0 114.023 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 146.06 83.67 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 121.037 -1.039 . . . . 0.0 113.333 -176.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.59 155.67 49.79 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.729 2.953 . . . . 0.0 111.108 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.83 -25.88 67.78 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.98 -18.3 62.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.452 1.101 . . . . 0.0 113.549 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -99.02 4.24 47.09 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.414 1.486 . . . . 0.0 112.853 173.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -121.65 150.64 41.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.146 0.885 . . . . 0.0 112.784 -169.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -82.71 146.67 53.47 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 123.962 0.905 . . . . 0.0 112.443 169.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.17 -28.86 1.78 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.088 2.525 . . . . 0.0 113.37 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.61 -47.9 20.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 111.043 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.9 mtt -100.07 -4.11 30.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.466 1.507 . . . . 0.0 113.599 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 67.66 11.29 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 128.226 2.611 . . . . 0.0 114.733 169.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -123.72 170.49 10.45 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.352 1.461 . . . . 0.0 112.317 -167.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.39 116.31 8.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.946 1.299 . . . . 0.0 109.413 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -74.78 -31.5 61.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -165.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 57.47 -23.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 130.221 3.408 . . . . 0.0 116.76 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -122.72 77.13 47.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 126.55 1.94 . . . . 0.0 110.701 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.19 135.94 28.18 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.681 2.921 . . . . 0.0 111.179 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -132.82 132.92 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.761 1.624 . . . . 0.0 109.826 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -89.43 139.49 30.46 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.822 1.649 . . . . 0.0 111.303 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.47 157.65 35.86 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.881 2.072 . . . . 0.0 109.79 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.07 -25.45 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.02 2.48 . . . . 0.0 113.075 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 m -77.46 -0.71 27.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.42 1.088 . . . . 0.0 113.741 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -7.97 69.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.241 1.4 . . . . 0.0 114.868 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 m -64.55 149.43 48.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.551 1.941 . . . . 0.0 110.264 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.3 t -118.87 137.81 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.976 1.311 . . . . 0.0 110.23 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 tpp -134.34 165.26 25.56 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.665 1.986 . . . . 0.0 110.54 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.47 136.35 49.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.365 1.066 . . . . 0.0 111.146 169.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -48.58 -52.33 23.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.742 1.617 . . . . 0.0 113.133 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -68.46 -38.64 81.27 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.637 -0.665 . . . . 0.0 111.688 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.0 mt -65.25 -46.27 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.111 0.964 . . . . 0.0 111.658 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.99 -47.35 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.905 1.23 . . . . 0.0 111.487 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.24 -32.94 74.31 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.406 1.003 . . . . 0.0 112.434 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -69.1 -33.29 73.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.549 0.74 . . . . 0.0 112.279 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -73.5 -41.71 62.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.168 0.895 . . . . 0.0 111.838 172.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.72 -36.44 74.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.551 1.14 . . . . 0.0 113.308 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -33.25 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.584 1.153 . . . . 0.0 112.982 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -87.78 -47.0 8.97 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.36 1.064 . . . . 0.0 113.184 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.7 m -151.14 146.37 19.04 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.74 1.616 . . . . 0.0 112.085 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.03 59.93 7.59 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.411 3.407 . . . . 0.0 111.33 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.4 p -148.22 159.67 43.73 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.561 1.944 . . . . 0.0 111.602 -172.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.65 142.45 94.0 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 125.824 1.65 . . . . 0.0 112.134 173.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -67.32 -18.86 50.26 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.059 3.173 . . . . 0.0 116.353 -174.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.76 -32.29 2.37 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.47 -28.34 18.64 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.399 1.08 . . . . 0.0 111.715 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 61.92 15.2 6.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.174 2.189 . . . . 0.0 114.478 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -61.65 152.31 31.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.976 . . . . 0.0 110.026 160.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -66.13 140.56 58.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.913 0.485 . . . . 0.0 111.196 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.83 137.77 19.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.115 1.366 . . . . 0.0 109.315 -167.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 m -129.94 151.51 50.42 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.021 1.728 . . . . 0.0 109.252 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.27 -32.19 64.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.053 0.941 . . . . 0.0 112.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -65.99 -17.11 64.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.106 1.362 . . . . 0.0 113.973 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 mmt -87.96 -9.27 54.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.522 1.129 . . . . 0.0 113.668 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 mt -82.64 151.57 26.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.029 1.332 . . . . 0.0 111.994 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -156.56 112.44 2.03 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.004 1.322 . . . . 0.0 110.27 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -57.22 137.87 83.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.954 2.436 . . . . 0.0 112.128 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.8 112.89 58.83 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.131 0.972 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.9 -37.13 0.63 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.893 2.396 . . . . 0.0 112.5 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.06 69.33 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.964 0.802 . . . . 0.0 112.933 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.62 -42.7 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.583 0.753 . . . . 0.0 111.558 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.8 -39.39 90.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.326 0.966 . . . . 0.0 112.808 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.49 -31.51 70.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.524 1.129 . . . . 0.0 112.445 174.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.49 -40.33 64.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.288 0.495 . . . . 0.0 112.237 171.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -59.0 -50.35 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.651 1.18 . . . . 0.0 111.236 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.44 -32.56 74.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.488 0.586 . . . . 0.0 112.553 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.56 -43.98 75.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.184 0.593 . . . . 0.0 111.875 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -62.97 -42.99 99.99 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.454 0.702 . . . . 0.0 112.154 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mtp -58.39 -40.16 81.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.324 1.05 . . . . 0.0 111.882 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.6 -46.14 83.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.433 0.693 . . . . 0.0 111.905 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -36.6 81.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.07 0.85 . . . . 0.0 112.764 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.4 -11.0 28.59 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.78 -14.46 54.4 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.038 -1.039 . . . . 0.0 112.73 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.3 p -68.53 -5.12 17.8 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -172.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 p -67.85 -28.92 67.96 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.75 -1.219 . . . . 0.0 112.936 169.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.03 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.278 2.631 . . . . 0.0 113.585 170.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 127.007 2.123 . . . . 0.0 112.658 178.628 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 CA--C 1.536 0.608 0 N-CA-C 112.951 0.327 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.14 13.49 83.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 123.521 0.581 . . . . 0.0 113.352 -170.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -67.67 -16.64 64.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.651 1.58 . . . . 0.0 114.578 -163.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -14.03 59.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.104 1.362 . . . . 0.0 114.157 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -89.16 158.57 17.86 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.183 0.993 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.8 mm -120.68 159.86 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.802 2.041 . . . . 0.0 109.771 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -72.33 99.87 2.51 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.986 -1.071 . . . . 0.0 110.751 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -84.55 14.62 4.39 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.8 m -59.66 -18.1 39.22 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.713 -1.242 . . . . 0.0 112.995 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.46 -6.29 49.34 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.418 1.887 . . . . 0.0 114.023 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 150.27 83.46 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.0 0.92 . . . . 0.0 113.17 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.92 156.56 62.62 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.479 2.786 . . . . 0.0 110.724 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.62 -23.88 67.29 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 113.585 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.12 -20.6 62.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.867 1.267 . . . . 0.0 114.036 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -98.98 -11.26 21.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.884 1.274 . . . . 0.0 113.223 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -99.05 138.48 36.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.437 1.095 . . . . 0.0 111.409 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -78.68 133.09 63.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.549 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -72.27 -11.44 26.82 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.907 2.405 . . . . 0.0 115.198 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 tp -79.84 -60.75 2.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.546 1.521 . . . . 0.0 110.938 171.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.29 -18.33 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 74.56 -1.64 3.03 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.097 2.559 . . . . 0.0 114.031 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 p -93.57 156.29 16.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.667 1.987 . . . . 0.0 112.226 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.61 116.7 5.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 109.152 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -69.21 -37.6 78.15 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p 64.22 -26.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 129.127 2.971 . . . . 0.0 115.363 -177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.45 78.67 20.32 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 127.256 2.223 . . . . 0.0 109.99 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.4 134.03 18.35 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.765 2.31 . . . . 0.0 110.197 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.16 128.26 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.736 1.214 . . . . 0.0 109.386 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -90.02 137.55 32.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.193 1.797 . . . . 0.0 110.822 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.45 162.49 25.82 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.638 2.375 . . . . 0.0 109.92 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -64.01 -23.03 67.91 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.451 2.767 . . . . 0.0 112.992 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p -80.01 -4.35 52.25 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.542 1.537 . . . . 0.0 113.93 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.42 -5.81 83.71 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.515 1.531 . . . . 0.0 114.296 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -65.09 150.18 48.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.08 2.152 . . . . 0.0 110.297 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.86 129.15 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.199 1.0 . . . . 0.0 110.662 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -130.19 163.68 26.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.316 1.846 . . . . 0.0 112.148 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.24 130.46 43.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.858 1.263 . . . . 0.0 111.22 169.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -43.98 -47.59 8.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.016 1.726 . . . . 0.0 113.438 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.1 m -70.53 -30.76 67.59 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.812 0.845 . . . . 0.0 112.754 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.5 mt -79.14 -43.29 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.317 -0.864 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tp -64.13 -44.66 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.846 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.74 -32.79 74.32 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.947 1.249 . . . . 0.0 112.485 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.16 -44.11 89.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.782 0.719 . . . . 0.0 110.885 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.2 -42.19 84.57 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.833 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.76 -36.3 76.36 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.07 -34.79 78.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.99 0.916 . . . . 0.0 112.126 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 -43.2 26.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.006 . . . . 0.0 113.389 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -162.77 150.15 11.2 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 126.269 1.828 . . . . 0.0 111.4 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.74 66.05 8.66 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.094 3.196 . . . . 0.0 111.328 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 p -147.41 153.03 39.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.655 1.582 . . . . 0.0 112.168 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.31 139.78 97.57 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.752 2.021 . . . . 0.0 111.792 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.25 -24.94 43.29 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.698 2.932 . . . . 0.0 114.899 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.76 -39.19 2.76 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.269 0.94 . . . . 0.0 113.43 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.02 -25.5 19.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.176 0.99 . . . . 0.0 112.388 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 69.3 10.93 8.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.319 2.248 . . . . 0.0 114.294 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -56.5 147.67 21.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.884 1.274 . . . . 0.0 110.402 161.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.06 140.15 58.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.234 0.614 . . . . 0.0 110.46 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.94 140.22 21.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.853 0.861 . . . . 0.0 111.11 -164.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.8 m -132.74 151.81 51.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.298 1.839 . . . . 0.0 109.327 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.71 -33.55 48.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.502 1.121 . . . . 0.0 113.508 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -64.61 -16.91 63.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.968 1.307 . . . . 0.0 114.504 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.2 mtt -85.43 -12.52 51.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.59 1.156 . . . . 0.0 113.133 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -84.4 151.59 24.58 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.29 1.436 . . . . 0.0 112.692 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -148.08 108.66 3.7 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.801 1.241 . . . . 0.0 110.082 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.82 121.79 10.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.251 2.634 . . . . 0.0 110.489 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.09 117.07 66.11 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 123.374 0.67 . . . . 0.0 110.99 -168.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.8 -32.57 1.07 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.056 2.504 . . . . 0.0 114.008 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -41.27 94.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.662 1.119 . . . . 0.0 111.534 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.08 -39.01 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.507 -0.746 . . . . 0.0 112.056 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -62.59 -44.86 95.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.627 1.103 . . . . 0.0 112.143 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.25 -32.6 73.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.929 1.292 . . . . 0.0 112.125 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.48 -41.61 65.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.257 0.481 . . . . 0.0 112.223 172.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt -60.66 -50.0 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.583 1.153 . . . . 0.0 111.649 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.37 -32.04 73.47 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.821 0.737 . . . . 0.0 112.452 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.89 83.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.031 0.533 . . . . 0.0 111.943 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -67.16 -41.46 85.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.78 -0.575 . . . . 0.0 111.856 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.2 mtp -61.09 -42.72 99.03 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.402 -0.811 . . . . 0.0 111.503 173.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.76 -41.54 86.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 112.227 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.9 -39.76 94.92 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.326 0.65 . . . . 0.0 111.905 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -66.74 -39.13 87.81 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.336 -0.853 . . . . 0.0 113.292 173.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.04 -36.63 77.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.641 1.177 . . . . 0.0 111.816 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 t 76.65 -38.79 0.33 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.692 2.397 . . . . 0.0 114.372 164.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 77.07 -3.89 2.43 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.699 2.4 . . . . 0.0 113.268 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -147.16 151.4 36.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.574 1.95 . . . . 0.0 111.6 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.5 t60 . . . . . 0 C--O 1.255 1.38 0 C-N-CA 126.101 1.761 . . . . 0.0 111.565 -177.658 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 CA--C 1.537 0.66 0 N-CA-C 113.844 0.671 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.01 9.74 56.66 Favored Glycine 0 N--CA 1.477 1.42 0 C-N-CA 125.459 1.504 . . . . 0.0 114.034 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -156.66 172.6 18.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.171 1.389 . . . . 0.0 112.179 -172.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.89 171.6 14.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.587 1.555 . . . . 0.0 112.325 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -156.51 168.64 26.76 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.614 1.565 . . . . 0.0 110.134 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.52 137.6 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.858 1.263 . . . . 0.0 111.272 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.67 102.88 5.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.555 1.142 . . . . 0.0 111.363 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -83.51 24.36 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.284 1.433 . . . . 0.0 114.364 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -58.19 -21.32 46.98 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.713 -1.242 . . . . 0.0 113.286 167.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.17 -6.17 50.08 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.042 2.137 . . . . 0.0 113.703 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 142.26 98.34 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.208 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.78 156.94 63.97 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.615 2.877 . . . . 0.0 111.249 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.7 -21.58 65.87 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.3 -15.41 60.0 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 113.753 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -94.32 -20.62 19.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.01 1.324 . . . . 0.0 112.922 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm105 -95.54 133.23 39.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 111.978 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.46 137.8 59.41 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.946 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.25 -14.02 42.41 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.215 2.61 . . . . 0.0 115.858 -172.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -79.93 -60.73 2.23 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.825 1.648 . . . . 0.0 111.148 170.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.15 -19.27 30.36 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.54 41.07 32.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.669 1.988 . . . . 0.0 113.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -145.34 162.42 37.29 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.007 1.723 . . . . 0.0 109.884 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 119.21 6.42 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.513 1.125 . . . . 0.0 110.853 -171.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -71.95 -35.62 69.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 71.48 -29.48 0.19 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.716 2.407 . . . . 0.0 113.21 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -125.68 80.34 66.65 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.413 2.285 . . . . 0.0 109.965 174.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.32 134.89 25.64 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.049 2.499 . . . . 0.0 110.067 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -131.28 137.83 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.535 1.534 . . . . 0.0 109.819 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -89.71 131.29 35.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.758 2.023 . . . . 0.0 110.143 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.02 161.26 28.87 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.901 1.68 . . . . 0.0 109.888 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.75 -21.87 50.67 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.411 2.741 . . . . 0.0 113.448 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 p -74.89 -5.81 45.74 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 1.36 74.74 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.672 1.606 . . . . 0.0 114.435 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -70.06 140.95 52.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.347 1.459 . . . . 0.0 110.36 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -103.39 137.8 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.743 1.217 . . . . 0.0 109.564 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.6 ttm -151.06 159.17 44.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.386 1.475 . . . . 0.0 111.257 -173.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -67.75 128.29 35.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.616 1.166 . . . . 0.0 110.979 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -46.25 -46.89 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.858 1.663 . . . . 0.0 113.101 173.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -69.4 -37.55 77.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 111.974 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.8 mt -73.68 -41.2 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.94 -42.28 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.426 -0.796 . . . . 0.0 112.286 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 pp -69.26 -32.05 70.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.825 1.193 . . . . 0.0 112.045 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -65.0 -46.67 80.45 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.476 0.71 . . . . 0.0 110.415 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -68.93 -34.95 76.21 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.37 -0.831 . . . . 0.0 112.518 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.4 mt -57.49 -35.21 69.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.06 0.944 . . . . 0.0 112.897 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.72 -42.55 97.89 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.174 0.99 . . . . 0.0 111.172 171.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.57 -45.22 76.21 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 113.501 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -163.73 153.08 12.32 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 126.105 1.762 . . . . 0.0 111.596 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.48 51.69 3.63 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.607 3.538 . . . . 0.0 111.679 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 p -144.81 160.58 41.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.383 1.873 . . . . 0.0 112.59 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.33 132.15 91.61 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 126.636 1.974 . . . . 0.0 111.605 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -64.82 -23.75 62.13 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.746 2.964 . . . . 0.0 115.304 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -110.34 -39.47 4.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.414 1.086 . . . . 0.0 112.577 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -102.0 -19.52 15.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.75 0.82 . . . . 0.0 112.895 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 66.84 12.27 8.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.703 2.001 . . . . 0.0 114.823 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -65.0 152.24 43.89 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.261 1.024 . . . . 0.0 110.343 166.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.72 140.11 58.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.106 0.562 . . . . 0.0 111.004 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -152.33 139.94 19.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.935 0.894 . . . . 0.0 110.248 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -134.47 152.56 51.87 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.013 1.725 . . . . 0.0 109.902 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -54.06 -32.32 54.28 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.942 1.297 . . . . 0.0 113.354 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 p -70.3 -14.57 62.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.008 1.323 . . . . 0.0 114.188 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.2 mtt -88.23 -6.79 57.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.053 1.341 . . . . 0.0 112.851 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.29 152.31 22.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.659 1.584 . . . . 0.0 112.189 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -158.99 131.77 4.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.905 1.682 . . . . 0.0 109.153 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.5 142.54 49.36 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.585 2.19 . . . . 0.0 111.283 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -89.27 112.51 51.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.388 1.075 . . . . 0.0 109.932 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.12 -38.62 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.601 2.201 . . . . 0.0 112.79 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.75 -20.69 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -92.82 -45.59 7.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.554 0.742 . . . . 0.0 111.604 170.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.63 -40.34 91.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.693 1.133 . . . . 0.0 112.672 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.87 -34.46 77.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.189 0.996 . . . . 0.0 112.559 176.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -73.04 -41.22 64.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.17 0.588 . . . . 0.0 112.245 173.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.64 -51.27 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.501 1.121 . . . . 0.0 111.268 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.92 -32.49 74.02 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.22 75.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.83 0.852 . . . . 0.0 111.804 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -64.95 -45.46 85.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.873 0.869 . . . . 0.0 112.136 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -57.75 -36.02 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.894 0.878 . . . . 0.0 112.281 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -68.56 -45.56 71.78 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.044 0.937 . . . . 0.0 111.931 174.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.15 -38.83 92.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.939 0.896 . . . . 0.0 112.547 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.25 -26.09 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.093 -1.004 . . . . 0.0 113.501 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.55 -34.85 60.75 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.275 -0.891 . . . . 0.0 112.272 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.8 m -71.71 -19.98 61.98 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.261 0.937 . . . . 0.0 113.369 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -70.51 -13.19 62.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.288 1.435 . . . . 0.0 114.095 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.65 130.92 55.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.609 1.563 . . . . 0.0 110.421 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.134 1.774 . . . . 0.0 112.458 -170.792 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 CA--C 1.541 0.854 0 N-CA-C 112.823 0.278 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.87 -17.59 78.34 Favored Glycine 0 N--CA 1.476 1.32 0 C-N-CA 126.536 2.017 . . . . 0.0 114.171 -1.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m 75.41 -4.59 2.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.285 2.234 . . . . 0.0 114.91 167.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.78 163.8 39.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.739 1.616 . . . . 0.0 112.137 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.25 165.04 22.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.419 1.888 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -81.02 142.98 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.3 1.04 . . . . 0.0 111.136 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -81.27 93.97 6.63 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.743 1.217 . . . . 0.0 110.297 171.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -78.17 19.46 0.44 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -63.35 -9.77 13.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.404 -1.435 . . . . 0.0 113.616 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.42 -8.69 59.77 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.621 1.968 . . . . 0.0 113.501 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 149.93 90.3 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.718 -1.239 . . . . 0.0 112.998 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.06 156.67 59.46 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.519 2.813 . . . . 0.0 111.187 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.56 -31.17 69.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.447 1.099 . . . . 0.0 113.273 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -92.2 -5.62 52.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.459 1.103 . . . . 0.0 112.599 172.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -115.99 136.96 52.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.363 1.065 . . . . 0.0 112.297 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.59 141.55 48.7 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.031 0.932 . . . . 0.0 112.067 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.14 -35.15 66.13 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.689 2.259 . . . . 0.0 114.537 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 tp -72.6 -53.97 10.42 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.428 0.558 . . . . 0.0 111.662 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mmm -89.37 -10.81 45.23 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.13 8.77 7.02 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.297 2.239 . . . . 0.0 114.436 172.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -137.21 172.91 12.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.276 1.43 . . . . 0.0 111.924 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.35 121.83 11.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.452 1.901 . . . . 0.0 111.093 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -71.9 -29.2 64.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 p 66.96 -28.82 0.14 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 129.123 2.969 . . . . 0.0 115.005 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -132.84 89.13 35.62 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 127.349 2.26 . . . . 0.0 109.157 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.73 135.33 14.27 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.567 2.845 . . . . 0.0 111.641 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.52 126.98 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.906 1.282 . . . . 0.0 109.81 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -89.85 136.88 32.78 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.338 1.855 . . . . 0.0 110.944 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 165.3 17.49 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 127.339 2.255 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.89 -21.77 73.37 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.067 2.511 . . . . 0.0 113.603 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.2 p -71.57 -12.41 61.35 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.682 1.193 . . . . 0.0 114.184 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.16 -3.86 85.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.55 1.548 . . . . 0.0 114.056 -172.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.5 m -75.34 148.12 39.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.185 1.394 . . . . 0.0 109.757 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.8 t -116.08 132.74 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.352 1.061 . . . . 0.0 110.356 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -126.4 165.97 18.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 111.725 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.92 129.89 41.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.282 1.433 . . . . 0.0 111.556 168.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -47.26 -53.73 12.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 113.419 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -70.61 -34.26 71.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.116 0.566 . . . . 0.0 111.455 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.72 -46.03 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.727 0.694 . . . . 0.0 110.213 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.38 -43.82 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.358 0.981 . . . . 0.0 112.244 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.32 -33.41 73.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.121 0.873 . . . . 0.0 112.004 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.17 76.94 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.321 0.964 . . . . 0.0 111.604 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.0 -33.77 74.95 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.342 0.974 . . . . 0.0 112.583 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.16 -35.36 67.1 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.82 1.248 . . . . 0.0 113.492 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -25.51 64.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.717 0.807 . . . . 0.0 112.549 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.1 -53.1 5.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.067 0.947 . . . . 0.0 111.121 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -152.35 144.29 16.49 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 125.262 1.425 . . . . 0.0 111.719 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.71 55.43 5.67 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.191 3.261 . . . . 0.0 110.571 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -145.24 160.74 41.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.189 1.396 . . . . 0.0 112.411 -168.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -64.06 135.95 96.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 125.627 1.571 . . . . 0.0 110.551 170.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.49 -13.79 30.41 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.661 2.907 . . . . 0.0 115.601 -172.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -125.17 -28.42 3.41 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -105.68 -31.55 8.85 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.606 1.562 . . . . 0.0 111.906 -175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.268 81.4 mtt-85 66.43 23.82 10.51 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.214 1.805 . . . . 0.0 114.559 166.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.96 165.59 19.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 110.293 150.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -60.79 147.72 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.022 0.929 . . . . 0.0 112.482 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -156.25 134.03 11.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.138 1.775 . . . . 0.0 109.546 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -129.54 151.41 50.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.153 1.381 . . . . 0.0 109.379 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.25 -23.09 65.4 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 p -71.62 -18.68 62.19 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.64 1.176 . . . . 0.0 113.344 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.7 mmt -91.5 -9.57 43.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 113.112 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.49 148.96 27.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.328 1.451 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -150.39 124.81 4.59 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 124.546 1.138 . . . . 0.0 110.046 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.11 119.69 6.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.728 2.285 . . . . 0.0 109.117 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.4 116.66 66.72 Favored Pre-proline 0 N--CA 1.477 0.887 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.833 -170.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.67 -33.56 1.22 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.902 2.401 . . . . 0.0 114.021 -168.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.98 -37.77 88.64 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.758 1.163 . . . . 0.0 112.048 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -41.56 56.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.03 0.932 . . . . 0.0 110.649 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.99 -43.43 98.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.208 -0.932 . . . . 0.0 112.398 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.34 -36.01 82.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.503 1.121 . . . . 0.0 111.632 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -68.89 -46.6 67.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.904 0.482 . . . . 0.0 111.22 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.28 -47.91 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.015 0.926 . . . . 0.0 112.009 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.731 0.696 . . . . 0.0 112.687 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.8 65.31 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.327 0.512 . . . . 0.0 111.538 169.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.91 -40.62 96.1 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.298 0.639 . . . . 0.0 112.635 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.7 mtm -60.14 -38.32 82.74 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.983 -1.073 . . . . 0.0 112.044 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.29 -42.32 83.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.415 0.686 . . . . 0.0 111.826 174.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.44 -39.0 85.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.543 0.737 . . . . 0.0 112.225 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.4 -34.7 70.6 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.03 -39.45 90.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.808 0.843 . . . . 0.0 111.198 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t 131.27 138.66 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 131.126 3.77 . . . . 0.0 111.716 163.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 p -88.17 -12.12 44.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.096 1.358 . . . . 0.0 113.315 173.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -81.42 127.99 33.38 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.732 1.213 . . . . 0.0 111.304 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.7 t60 . . . . . 0 C--O 1.256 1.402 0 C-N-CA 124.882 1.273 . . . . 0.0 112.233 -175.553 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.543 0.932 0 N-CA-C 113.96 0.715 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.3 0.08 89.87 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.079 1.323 . . . . 0.0 115.059 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -71.08 -8.67 55.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.484 1.514 . . . . 0.0 114.457 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.32 161.28 38.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.921 1.688 . . . . 0.0 111.929 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.79 164.99 19.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.114 1.366 . . . . 0.0 112.213 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.64 -35.04 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.579 1.151 . . . . 0.0 112.313 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.7 t70 75.01 -9.79 1.32 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.734 2.814 . . . . 0.0 114.787 174.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 54.14 28.5 9.06 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.318 2.247 . . . . 0.0 115.51 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.4 m -58.03 -23.52 54.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.999 1.32 . . . . 0.0 113.41 170.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.89 -9.61 59.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.785 1.634 . . . . 0.0 113.533 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.4 147.88 98.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.224 -0.923 . . . . 0.0 112.014 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.29 157.22 57.49 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.389 2.726 . . . . 0.0 111.291 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.07 -19.42 65.22 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.89 -17.47 57.27 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 173.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -98.56 -16.57 19.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.661 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -97.09 131.46 43.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.756 1.222 . . . . 0.0 111.548 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.81 140.32 40.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.881 0.872 . . . . 0.0 111.279 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.08 -38.81 54.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 123.268 2.645 . . . . 0.0 114.58 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -87.64 -35.25 18.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.0 0.92 . . . . 0.0 111.498 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 ttt -66.84 -32.16 73.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.56 0.744 . . . . 0.0 112.39 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 60.68 32.29 20.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.0 2.12 . . . . 0.0 112.587 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -168.56 174.89 6.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.024 2.13 . . . . 0.0 111.154 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.31 121.5 12.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.737 1.615 . . . . 0.0 110.547 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -68.09 -37.95 81.78 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m 73.35 -34.52 0.29 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.041 2.536 . . . . 0.0 113.044 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.55 83.38 41.22 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 127.154 2.182 . . . . 0.0 109.97 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.74 135.84 20.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.146 2.564 . . . . 0.0 111.416 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.98 125.83 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.835 1.254 . . . . 0.0 109.661 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -90.46 136.36 33.11 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.703 1.201 . . . . 0.0 111.369 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.27 163.58 20.4 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 127.092 2.157 . . . . 0.0 110.64 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.59 -23.53 56.95 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.966 2.444 . . . . 0.0 113.883 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -71.22 -8.16 51.72 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 173.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.22 -5.11 83.03 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.506 1.527 . . . . 0.0 113.805 -174.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 m -68.74 147.46 51.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.412 1.885 . . . . 0.0 109.456 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.4 t -122.33 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.165 0.986 . . . . 0.0 110.068 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -123.26 163.38 20.81 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 111.923 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.77 133.81 55.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.323 1.049 . . . . 0.0 112.242 165.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -47.3 -54.69 10.36 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.621 1.568 . . . . 0.0 112.846 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -68.29 -33.64 74.71 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.522 -0.736 . . . . 0.0 111.999 -171.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -73.44 -44.21 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.109 -0.994 . . . . 0.0 111.956 175.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.78 -41.21 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 119.974 1.261 . . . . 0.0 111.545 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.93 -33.99 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.617 0.644 . . . . 0.0 112.212 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -70.68 -33.48 70.96 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.138 0.881 . . . . 0.0 112.366 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.3 -38.05 68.83 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.761 0.709 . . . . 0.0 111.861 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.66 -36.55 69.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.067 0.947 . . . . 0.0 112.85 171.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.93 -22.4 65.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.291 1.036 . . . . 0.0 113.417 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.35 -44.16 11.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.772 0.829 . . . . 0.0 112.475 173.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -164.3 155.0 13.2 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.165 1.786 . . . . 0.0 111.739 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.71 59.14 7.14 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 124.298 3.332 . . . . 0.0 111.073 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -143.01 157.26 44.71 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.772 1.629 . . . . 0.0 112.512 -171.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -66.9 134.46 94.02 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 127.661 2.384 . . . . 0.0 111.457 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -67.13 -21.81 48.16 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.25 3.3 . . . . 0.0 114.85 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -118.23 -36.0 3.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.34 0.973 . . . . 0.0 113.374 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -97.28 -28.07 14.22 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.069 0.948 . . . . 0.0 112.743 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 65.96 17.32 10.77 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.251 2.22 . . . . 0.0 114.045 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -59.13 158.95 8.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.763 0.825 . . . . 0.0 110.279 155.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.45 141.91 58.35 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.047 0.539 . . . . 0.0 111.486 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -152.4 133.28 14.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.44 1.496 . . . . 0.0 110.085 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -129.69 154.09 47.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.724 1.609 . . . . 0.0 109.651 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.03 -36.09 49.09 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.766 1.227 . . . . 0.0 113.102 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -64.35 -15.8 61.05 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 mtt -90.2 -14.3 33.73 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.319 1.448 . . . . 0.0 112.947 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.28 153.23 20.62 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.519 1.528 . . . . 0.0 112.595 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.15 119.68 2.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.593 1.157 . . . . 0.0 109.473 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.5 125.43 18.76 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.258 2.638 . . . . 0.0 110.576 170.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.6 114.94 65.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 123.346 0.658 . . . . 0.0 111.076 -168.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.0 -32.35 1.9 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.219 2.613 . . . . 0.0 113.203 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.91 -20.89 66.69 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.293 0.951 . . . . 0.0 113.344 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.83 -45.73 10.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.697 0.799 . . . . 0.0 111.527 166.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.8 -37.87 80.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.534 1.061 . . . . 0.0 113.267 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.13 -33.39 74.4 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.85 0.86 . . . . 0.0 112.724 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.65 -41.95 62.04 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.903 0.881 . . . . 0.0 111.802 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.74 -51.99 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.174 1.39 . . . . 0.0 110.806 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.19 -32.88 74.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.771 0.714 . . . . 0.0 112.271 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.28 85.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.01 0.823 . . . . 0.0 111.415 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -66.78 -46.04 76.53 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.815 0.846 . . . . 0.0 111.823 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.1 mtp -59.43 -35.59 74.29 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.0 112.333 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.53 -39.89 81.41 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.202 1.001 . . . . 0.0 112.149 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.93 -36.47 83.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.674 0.789 . . . . 0.0 111.741 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.75 -42.33 67.36 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.518 -0.739 . . . . 0.0 111.515 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -67.33 -28.57 68.08 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.756 1.222 . . . . 0.0 112.785 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 m -63.92 -16.72 62.12 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.903 -1.123 . . . . 0.0 113.646 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -82.51 -13.32 56.86 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.848 -1.157 . . . . 0.0 113.934 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.51 -28.98 26.33 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.929 -1.107 . . . . 0.0 112.981 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 125.621 1.568 . . . . 0.0 112.694 -177.374 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.553 0 CA-C-O 121.098 0.374 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.65 21.49 74.63 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.987 -161.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -115.34 -39.83 3.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.393 1.877 . . . . 0.0 111.672 -169.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.87 5.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 112.615 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.25 161.14 43.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.517 1.927 . . . . 0.0 111.824 -168.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.98 140.75 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.64 1.176 . . . . 0.0 109.858 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -87.03 99.28 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.066 0.946 . . . . 0.0 109.942 166.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -77.31 11.04 2.1 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -57.65 -18.53 20.94 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.254 1.422 . . . . 0.0 113.47 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.5 -6.85 43.6 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.689 1.996 . . . . 0.0 113.886 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 147.09 86.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.592 1.157 . . . . 0.0 112.886 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.67 159.02 49.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.607 2.871 . . . . 0.0 110.637 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -15.55 9.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.762 1.225 . . . . 0.0 114.107 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.32 -37.18 72.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.299 1.44 . . . . 0.0 112.011 170.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -106.71 0.75 24.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.652 1.581 . . . . 0.0 113.127 -170.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -113.52 134.7 54.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.861 1.264 . . . . 0.0 111.763 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.86 142.87 27.98 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.005 1.322 . . . . 0.0 110.66 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.63 -36.89 73.06 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.58 2.853 . . . . 0.0 114.713 -173.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 tp -95.04 -33.8 12.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -34.35 78.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.955 0.502 . . . . 0.0 111.827 170.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 66.72 21.65 10.53 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.308 1.843 . . . . 0.0 113.342 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -163.75 -178.35 5.69 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.006 2.122 . . . . 0.0 110.33 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.5 114.51 2.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.204 1.402 . . . . 0.0 110.592 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -71.04 -34.97 71.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m 74.07 -36.16 0.33 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 128.045 2.538 . . . . 0.0 112.324 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -121.16 81.83 37.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 127.157 2.183 . . . . 0.0 109.433 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.36 135.39 26.62 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.524 2.816 . . . . 0.0 110.807 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.26 130.42 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.593 1.157 . . . . 0.0 109.945 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -89.74 135.88 33.36 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.593 1.157 . . . . 0.0 111.733 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.36 165.09 35.3 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.947 2.099 . . . . 0.0 110.506 173.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.79 -22.95 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.95 2.433 . . . . 0.0 113.068 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -75.16 -3.82 35.19 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.684 1.194 . . . . 0.0 113.792 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.77 -9.74 76.18 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 126.048 1.785 . . . . 0.0 114.562 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -71.31 148.28 47.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.717 2.007 . . . . 0.0 110.567 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.6 t -110.98 130.89 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.637 1.175 . . . . 0.0 110.777 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -132.78 166.58 21.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.442 1.897 . . . . 0.0 112.278 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.57 135.17 48.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 113.1 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -57.12 -46.47 82.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.515 1.126 . . . . 0.0 113.667 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -66.26 -35.64 80.93 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.114 -0.991 . . . . 0.0 112.385 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -73.38 -43.66 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.529 1.132 . . . . 0.0 111.293 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.67 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.55 0.613 . . . . 0.0 111.102 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.26 -34.12 70.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.258 -0.901 . . . . 0.0 112.284 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.58 -38.54 91.35 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.253 0.933 . . . . 0.0 111.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -63.55 -52.62 60.32 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.784 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.17 -36.05 67.89 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tt -62.78 -38.55 91.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.286 1.434 . . . . 0.0 111.994 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.73 -44.44 27.8 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.24 1.016 . . . . 0.0 112.461 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -169.77 154.08 5.2 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.441 1.496 . . . . 0.0 112.572 -169.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.77 68.0 8.3 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.375 2.717 . . . . 0.0 111.017 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -139.29 146.73 40.71 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.286 1.434 . . . . 0.0 113.515 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.31 139.33 97.41 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.63 1.972 . . . . 0.0 111.182 169.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -68.67 -24.05 35.59 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.302 2.668 . . . . 0.0 115.378 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -123.81 -37.19 2.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.842 1.201 . . . . 0.0 113.384 -175.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -86.12 -25.73 25.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.532 0.733 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 71.38 6.01 5.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.834 2.454 . . . . 0.0 114.385 175.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -57.97 157.09 8.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.343 1.457 . . . . 0.0 111.359 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.17 136.42 55.9 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.009 0.524 . . . . 0.0 111.032 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -152.24 136.36 16.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 111.076 -167.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 m -123.83 151.95 42.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.046 1.738 . . . . 0.0 109.165 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.1 -22.78 61.37 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 p -68.51 -17.54 64.19 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.62 1.568 . . . . 0.0 113.473 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.6 mmt -89.03 -8.44 54.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.987 1.315 . . . . 0.0 112.928 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.0 155.69 21.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.063 1.345 . . . . 0.0 112.481 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -155.22 117.23 2.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.9 1.28 . . . . 0.0 110.294 171.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.16 136.5 76.83 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.6 2.867 . . . . 0.0 111.989 173.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.38 114.84 61.99 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.057 0.943 . . . . 0.0 111.017 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.47 -39.65 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.77 2.313 . . . . 0.0 112.081 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.45 -21.05 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.82 -43.1 11.48 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.429 168.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -65.45 -36.95 85.45 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.28 1.4 . . . . 0.0 113.228 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.27 -30.64 68.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.933 0.893 . . . . 0.0 112.41 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -73.05 -40.59 64.96 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.887 0.767 . . . . 0.0 112.241 170.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.46 -52.2 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 111.427 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.77 71.46 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.175 0.443 . . . . 0.0 112.148 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.24 66.56 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.1 0.863 . . . . 0.0 111.731 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -63.86 -43.17 96.92 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.354 -0.842 . . . . 0.0 112.355 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.8 mtp -60.86 -34.68 74.96 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.601 0.76 . . . . 0.0 112.53 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -67.54 -44.67 77.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.177 0.591 . . . . 0.0 111.817 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.21 -36.55 80.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.954 0.797 . . . . 0.0 112.765 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.74 -18.17 65.14 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -100.26 -34.43 10.01 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.062 1.345 . . . . 0.0 111.26 175.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -75.11 -10.41 59.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.786 1.234 . . . . 0.0 113.942 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 p -75.08 -10.9 59.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.124 1.37 . . . . 0.0 114.452 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.03 129.95 43.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.717 1.207 . . . . 0.0 111.94 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 124.451 1.101 . . . . 0.0 112.947 -168.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 CA--C 1.542 0.916 0 N-CA-C 113.843 0.67 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.93 6.89 59.0 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.821 1.201 . . . . 0.0 114.238 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -80.31 -18.18 49.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.01 1.324 . . . . 0.0 113.937 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.65 157.29 23.31 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.843 1.657 . . . . 0.0 111.799 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -142.57 158.74 43.35 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.143 1.777 . . . . 0.0 110.9 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.01 145.23 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.843 0.857 . . . . 0.0 109.398 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.1 107.96 5.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.723 0.809 . . . . 0.0 111.184 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -99.46 24.55 7.99 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.841 1.256 . . . . 0.0 113.219 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -60.43 -17.71 46.16 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.521 -1.362 . . . . 0.0 114.004 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.297 2.639 . . . . 0.0 114.291 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 148.05 61.28 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.293 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.79 155.8 61.85 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.236 2.624 . . . . 0.0 111.8 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.5 -26.73 68.7 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.617 1.167 . . . . 0.0 113.553 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.78 -16.5 63.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -98.08 -1.49 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.395 1.478 . . . . 0.0 113.014 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -120.25 134.98 55.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 0.0 112.227 -167.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.35 134.02 49.28 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-O 118.61 -0.71 . . . . 0.0 111.045 173.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.91 -20.93 50.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.463 2.775 . . . . 0.0 115.148 -174.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.07 -47.9 19.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 120.218 1.372 . . . . 0.0 112.08 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.7 mtp -92.08 -20.12 21.61 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 56.6 52.77 9.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.946 1.698 . . . . 0.0 112.551 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -156.72 161.52 39.82 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.901 1.68 . . . . 0.0 110.828 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 120.62 12.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.087 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -71.05 -36.19 72.23 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 p 65.19 -31.7 0.14 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 129.359 3.064 . . . . 0.0 114.958 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.26 86.19 37.77 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.678 1.991 . . . . 0.0 110.047 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -71.25 134.87 25.76 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.197 2.598 . . . . 0.0 110.882 171.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.5 t -129.92 132.11 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.56 1.544 . . . . 0.0 109.461 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -89.94 140.17 29.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.956 2.102 . . . . 0.0 111.46 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 mt -98.09 160.25 28.78 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.933 2.093 . . . . 0.0 110.979 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.37 -21.88 66.38 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.269 2.646 . . . . 0.0 113.504 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.0 p -71.6 -11.25 60.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -2.59 80.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.751 1.644 . . . . 0.0 113.997 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.9 m -69.81 145.8 51.86 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.816 1.246 . . . . 0.0 110.051 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.4 t -113.02 143.21 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.981 1.313 . . . . 0.0 110.081 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.4 ttm -146.89 162.7 38.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.827 2.051 . . . . 0.0 111.14 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.5 135.76 47.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.368 1.067 . . . . 0.0 112.148 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -52.69 -51.24 61.16 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.547 1.539 . . . . 0.0 113.717 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 m -68.81 -37.63 79.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.608 -0.682 . . . . 0.0 112.517 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.95 -48.2 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.005 0.922 . . . . 0.0 111.084 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -64.24 -45.62 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 119.233 0.924 . . . . 0.0 111.628 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.21 -34.42 77.45 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.758 1.163 . . . . 0.0 112.553 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -66.96 -38.32 85.89 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.848 0.749 . . . . 0.0 111.859 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -67.0 -46.6 74.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.865 0.757 . . . . 0.0 111.142 174.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.62 -37.22 72.91 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.68 1.192 . . . . 0.0 113.347 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.43 -33.99 75.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.987 1.315 . . . . 0.0 112.601 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -79.67 -44.12 21.47 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.771 0.828 . . . . 0.0 111.321 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 p -169.91 145.15 2.4 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.773 1.629 . . . . 0.0 111.682 172.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.25 75.89 4.08 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.647 2.898 . . . . 0.0 112.316 -170.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -145.11 158.51 43.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.362 1.865 . . . . 0.0 111.537 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.18 134.28 91.47 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.618 1.167 . . . . 0.0 112.376 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -65.91 -22.24 56.17 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.506 2.804 . . . . 0.0 115.215 -174.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.1 -32.08 7.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.448 1.022 . . . . 0.0 113.151 -177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -102.99 -27.81 12.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.085 1.354 . . . . 0.0 112.871 -173.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 67.82 12.65 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.947 2.099 . . . . 0.0 114.501 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.27 157.72 37.17 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.802 0.841 . . . . 0.0 110.561 164.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -63.17 134.85 56.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.006 0.922 . . . . 0.0 111.706 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.76 120.31 5.09 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.382 1.473 . . . . 0.0 109.6 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -113.67 161.32 17.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.726 1.21 . . . . 0.0 112.154 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.87 -23.68 61.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.266 1.427 . . . . 0.0 113.872 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.0 p -70.86 -16.65 62.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.787 1.235 . . . . 0.0 113.814 174.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.6 mtt -89.11 -7.54 55.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.095 1.358 . . . . 0.0 113.377 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.6 154.67 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.377 1.471 . . . . 0.0 112.357 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -160.9 129.1 2.88 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.688 1.595 . . . . 0.0 109.681 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.52 144.96 41.37 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.677 2.252 . . . . 0.0 111.507 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.3 113.06 62.66 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 0.0 111.427 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.7 -34.64 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.237 2.625 . . . . 0.0 112.892 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.43 -23.22 66.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.417 1.008 . . . . 0.0 113.403 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.45 -41.93 11.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.336 1.054 . . . . 0.0 111.655 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.44 -35.33 80.55 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.43 1.014 . . . . 0.0 112.815 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.86 -34.71 79.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.149 1.38 . . . . 0.0 112.473 173.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.63 -40.78 63.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.135 0.574 . . . . 0.0 111.974 172.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.08 -48.8 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.256 1.022 . . . . 0.0 111.012 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -66.43 -32.2 73.42 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.31 0.959 . . . . 0.0 112.595 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.24 90.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.632 -0.668 . . . . 0.0 112.051 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -67.38 -44.05 79.89 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.376 0.67 . . . . 0.0 112.135 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.6 mtp -57.85 -35.63 71.19 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.302 1.041 . . . . 0.0 112.425 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -59.77 -45.26 92.83 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.243 -0.91 . . . . 0.0 112.207 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.42 -37.11 82.55 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.315 0.646 . . . . 0.0 112.237 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -68.42 -33.68 74.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.197 0.999 . . . . 0.0 113.106 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.77 -53.48 13.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.387 1.475 . . . . 0.0 110.982 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -167.52 -25.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -165.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m 68.7 1.97 3.26 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.783 2.033 . . . . 0.0 113.477 -170.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.79 128.73 37.0 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.545 -1.347 . . . . 0.0 112.139 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m80 . . . . . 0 C--O 1.257 1.463 0 C-N-CA 125.16 1.384 . . . . 0.0 112.178 -175.801 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo . . . . . 0 CA--C 1.538 0.691 0 N-CA-C 114.413 0.889 . . . . 0.0 114.413 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.07 16.22 39.09 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.259 1.409 . . . . 0.0 113.37 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -109.47 -44.13 3.95 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.069 1.347 . . . . 0.0 112.128 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.51 0.45 0.68 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.927 1.291 . . . . 0.0 113.635 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mp0 -79.69 154.22 28.76 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.864 2.066 . . . . 0.0 111.75 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mm -87.48 157.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.69 1.196 . . . . 0.0 110.111 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -75.09 88.27 2.42 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.336 -0.853 . . . . 0.0 109.797 168.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -74.92 16.08 0.33 Allowed 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -63.24 -6.9 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.283 -1.511 . . . . 0.0 113.514 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.12 -8.04 58.66 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.419 1.888 . . . . 0.0 113.475 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 152.73 78.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.923 1.289 . . . . 0.0 113.494 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.03 156.44 56.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.679 2.919 . . . . 0.0 111.272 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.19 -25.4 67.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.437 1.095 . . . . 0.0 113.855 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.97 -19.81 61.83 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -94.56 -0.2 54.74 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 0.0 112.881 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -119.31 143.98 47.08 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.362 1.065 . . . . 0.0 112.047 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.35 139.54 25.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 124.002 0.921 . . . . 0.0 110.773 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -37.04 54.62 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.146 2.564 . . . . 0.0 114.471 -174.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -81.93 -40.03 22.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.363 0.665 . . . . 0.0 111.072 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -68.03 -29.88 68.98 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 71.78 5.59 5.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.707 2.803 . . . . 0.0 113.266 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -151.86 179.65 8.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.605 1.562 . . . . 0.0 111.585 -169.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 118.63 7.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 111.359 -170.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -74.41 -34.59 63.31 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 p 66.69 -23.0 0.1 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 128.546 2.738 . . . . 0.0 115.463 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.39 81.05 71.34 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 126.359 1.864 . . . . 0.0 110.121 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.85 135.65 17.81 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.52 2.814 . . . . 0.0 111.996 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.7 t -123.36 129.37 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 126.168 1.787 . . . . 0.0 109.342 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -89.99 135.34 33.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.57 2.348 . . . . 0.0 110.963 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.16 163.95 20.51 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.447 2.299 . . . . 0.0 110.216 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.18 -24.14 59.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.056 2.504 . . . . 0.0 112.873 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -75.06 -6.78 51.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.903 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.91 77.98 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.847 1.689 . . . . 0.0 114.185 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -64.06 150.19 45.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.625 1.97 . . . . 0.0 110.338 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.94 132.45 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.966 0.907 . . . . 0.0 109.753 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -137.82 171.78 13.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.563 1.945 . . . . 0.0 111.544 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -70.81 136.19 48.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.255 1.022 . . . . 0.0 113.032 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -49.04 -52.24 26.47 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.602 1.961 . . . . 0.0 113.798 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -70.35 -38.46 74.81 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.434 -0.791 . . . . 0.0 111.788 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.55 -43.57 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.75 0.704 . . . . 0.0 111.292 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -64.03 -46.95 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 111.853 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.25 -36.11 80.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.382 0.992 . . . . 0.0 112.258 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.76 78.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.281 0.946 . . . . 0.0 111.704 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -70.12 -44.09 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.9 0.773 . . . . 0.0 111.664 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.95 -36.38 72.48 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.09 0.956 . . . . 0.0 113.165 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.09 -23.47 66.52 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.587 1.155 . . . . 0.0 113.951 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.14 -52.53 5.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.169 0.988 . . . . 0.0 111.005 171.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -151.06 141.34 14.5 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.859 1.664 . . . . 0.0 110.182 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.48 64.15 7.98 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.769 2.979 . . . . 0.0 111.127 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -144.33 156.27 44.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.718 1.607 . . . . 0.0 112.295 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.68 131.5 92.8 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 110.437 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.16 -19.85 56.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.501 2.801 . . . . 0.0 114.409 -172.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -120.67 -33.51 3.79 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.045 0.938 . . . . 0.0 113.258 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -96.1 -27.01 15.28 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.061 0.944 . . . . 0.0 112.956 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 66.74 16.03 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.532 2.333 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -61.75 154.82 24.51 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.582 1.153 . . . . 0.0 111.324 160.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpt -56.9 133.27 54.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.414 1.086 . . . . 0.0 110.716 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.11 114.26 4.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.895 0.878 . . . . 0.0 111.118 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.0 m -105.77 152.2 23.51 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.683 1.593 . . . . 0.0 109.705 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.31 -23.04 62.13 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 p -70.28 -17.28 63.1 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.323 1.449 . . . . 0.0 114.084 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.5 mtt -84.75 -13.79 50.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.872 1.269 . . . . 0.0 113.024 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.91 152.21 25.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.596 1.558 . . . . 0.0 111.985 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -151.24 118.3 3.31 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.789 1.236 . . . . 0.0 109.682 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.97 131.65 22.83 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.056 1.837 . . . . 0.0 109.182 174.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.51 105.25 53.97 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 123.261 0.624 . . . . 0.0 111.385 -171.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.82 -31.21 3.29 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.732 2.955 . . . . 0.0 113.563 -171.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.95 -26.29 68.76 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.345 0.975 . . . . 0.0 113.057 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.03 -44.28 16.83 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.804 -0.56 . . . . 0.0 111.483 169.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.08 -39.6 86.63 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.625 1.102 . . . . 0.0 113.004 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.04 -34.49 76.56 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.965 1.306 . . . . 0.0 112.309 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.99 -38.5 64.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.961 0.505 . . . . 0.0 112.321 172.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.97 -53.03 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.043 1.337 . . . . 0.0 111.095 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -65.69 -32.03 73.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.796 0.726 . . . . 0.0 112.357 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.3 78.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.674 0.789 . . . . 0.0 111.639 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -65.86 -42.33 90.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.68 0.792 . . . . 0.0 111.758 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mtp -60.76 -42.68 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.919 0.888 . . . . 0.0 111.578 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.08 -45.99 92.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.724 0.81 . . . . 0.0 112.001 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.64 -42.81 97.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.367 0.667 . . . . 0.0 112.388 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.41 -40.83 98.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.806 0.842 . . . . 0.0 112.811 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -72.81 -31.79 65.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.945 0.898 . . . . 0.0 112.253 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -72.9 -8.84 57.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.3 m -68.22 -11.06 58.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.05 -12.65 60.0 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.053 1.341 . . . . 0.0 112.637 -175.628 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 CA--C 1.54 0.782 0 N-CA-C 113.603 0.578 . . . . 0.0 113.603 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.84 60.44 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.373 0.987 . . . . 0.0 113.686 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 p -83.74 -9.3 58.92 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.718 1.607 . . . . 0.0 114.696 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.35 47.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 113.157 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.7 164.65 21.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.146 1.378 . . . . 0.0 112.709 177.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mm -82.66 145.14 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.524 1.13 . . . . 0.0 110.131 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.34 126.34 32.04 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.924 0.889 . . . . 0.0 111.316 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -108.14 17.23 22.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -65.91 -11.21 45.38 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.495 -1.378 . . . . 0.0 112.734 170.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -76.13 -6.2 50.12 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.018 2.127 . . . . 0.0 113.978 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 140.58 87.38 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -174.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 153.87 72.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.858 3.039 . . . . 0.0 111.625 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.71 -25.19 66.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.844 1.258 . . . . 0.0 114.342 -168.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.73 -19.48 65.14 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.481 1.113 . . . . 0.0 113.984 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -101.11 -9.59 21.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.75 1.62 . . . . 0.0 113.67 173.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -85.22 146.12 27.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.661 0.785 . . . . 0.0 111.867 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -78.19 145.84 69.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 122.909 0.484 . . . . 0.0 111.704 162.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -28.02 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.229 2.62 . . . . 0.0 113.305 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.59 -50.49 9.91 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 111.204 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.6 mmm -94.69 -14.54 24.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.94 1.296 . . . . 0.0 114.451 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.5 t0 57.02 49.99 12.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.194 2.198 . . . . 0.0 113.604 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -149.41 172.56 14.74 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.987 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 121.18 11.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.09 0.956 . . . . 0.0 109.627 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -70.81 -43.05 69.44 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 m 73.31 -37.34 0.38 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.794 2.438 . . . . 0.0 113.054 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.9 79.69 8.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 127.011 2.124 . . . . 0.0 110.719 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.52 135.4 24.15 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.348 2.699 . . . . 0.0 110.826 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.6 t -134.39 128.23 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.955 1.702 . . . . 0.0 109.818 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -89.8 137.14 32.59 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.894 1.678 . . . . 0.0 111.565 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -89.48 161.75 38.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 110.66 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.8 -22.02 69.33 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.465 2.777 . . . . 0.0 113.423 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.4 p -70.42 -10.87 60.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.635 1.574 . . . . 0.0 114.519 171.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.66 -7.44 81.89 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 126.014 1.769 . . . . 0.0 114.262 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.4 m -66.81 149.33 50.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.764 1.626 . . . . 0.0 110.033 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -113.09 139.25 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.355 1.062 . . . . 0.0 110.232 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.8 tpp -135.03 167.68 20.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.298 1.839 . . . . 0.0 110.662 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.53 136.15 44.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.618 1.167 . . . . 0.0 111.871 169.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -48.27 -53.23 17.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.843 1.657 . . . . 0.0 113.032 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -69.63 -39.31 77.24 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.585 -172.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.11 -47.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.173 0.989 . . . . 0.0 111.653 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.87 -44.82 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.45 1.023 . . . . 0.0 112.053 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.91 -32.85 73.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.778 1.172 . . . . 0.0 112.361 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.11 -46.13 75.11 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.408 0.683 . . . . 0.0 110.691 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.64 -38.01 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.144 0.884 . . . . 0.0 112.24 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.7 -34.86 71.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.257 1.023 . . . . 0.0 112.652 172.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -27.58 68.57 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.363 1.065 . . . . 0.0 113.039 172.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -85.44 -47.84 9.57 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.225 1.01 . . . . 0.0 112.579 175.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 m -151.61 147.65 20.58 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.569 1.548 . . . . 0.0 110.919 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.02 54.36 5.13 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.364 3.376 . . . . 0.0 111.551 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 p -146.67 161.9 39.59 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.72 1.608 . . . . 0.0 112.433 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.26 137.76 75.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.595 1.158 . . . . 0.0 111.262 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.91 -29.56 67.27 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.645 2.896 . . . . 0.0 115.273 -175.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -112.04 -25.7 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.709 1.141 . . . . 0.0 113.928 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -101.47 -28.62 12.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.464 1.106 . . . . 0.0 112.315 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.48 20.1 10.9 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.841 2.056 . . . . 0.0 114.033 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -70.03 162.03 28.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.494 -0.754 . . . . 0.0 110.294 164.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.38 136.92 48.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.997 0.919 . . . . 0.0 110.923 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.52 142.33 18.95 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.687 1.195 . . . . 0.0 110.188 -173.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.6 m -144.28 153.77 42.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.539 1.936 . . . . 0.0 109.054 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -56.17 -32.06 63.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.277 1.031 . . . . 0.0 112.621 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -16.97 64.14 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.365 1.466 . . . . 0.0 113.896 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.5 mtt -87.55 -10.38 51.78 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.578 1.151 . . . . 0.0 113.293 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.23 153.43 24.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.219 1.408 . . . . 0.0 112.665 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -156.09 124.64 2.95 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.065 1.346 . . . . 0.0 110.095 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.83 140.27 35.0 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.247 2.631 . . . . 0.0 111.497 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.6 t -90.67 119.79 68.96 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.032 0.933 . . . . 0.0 111.268 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.02 -37.74 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.053 2.502 . . . . 0.0 112.836 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.17 -32.43 73.86 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.911 1.232 . . . . 0.0 112.554 -175.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.69 -44.98 26.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.742 0.817 . . . . 0.0 111.433 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -59.96 -42.4 94.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.644 1.111 . . . . 0.0 112.855 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.37 -35.51 81.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.962 1.305 . . . . 0.0 112.069 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.65 -40.44 66.37 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.794 -0.566 . . . . 0.0 112.389 173.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.14 -49.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.669 1.188 . . . . 0.0 111.602 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -32.61 74.34 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.686 0.675 . . . . 0.0 112.216 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.64 82.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.361 0.664 . . . . 0.0 111.564 172.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.5 -43.18 90.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.564 -0.71 . . . . 0.0 112.442 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.85 -39.65 85.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.14 0.882 . . . . 0.0 111.389 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -67.76 -39.89 84.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.699 0.8 . . . . 0.0 112.205 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.9 -28.92 70.16 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.283 0.947 . . . . 0.0 112.686 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.14 -21.27 59.94 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.543 -1.348 . . . . 0.0 113.42 171.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -88.21 -47.53 8.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.617 1.167 . . . . 0.0 111.864 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.7 p -166.7 -139.86 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.352 1.461 . . . . 0.0 111.604 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m 73.03 -37.86 0.4 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.077 2.551 . . . . 0.0 114.122 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -88.22 125.82 34.83 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 167.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.217 -173.813 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -59.69 -18.9 46.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.842 1.257 . . . . 0.0 113.74 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.96 -5.96 55.1 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.941 1.697 . . . . 0.0 113.538 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 141.91 98.3 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 121.113 -0.992 . . . . 0.0 112.845 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.55 157.68 58.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 123.735 2.957 . . . . 0.0 111.453 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.74 -21.45 65.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.719 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.79 -17.09 57.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.562 1.145 . . . . 0.0 113.634 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -95.14 -20.97 18.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.02 1.328 . . . . 0.0 112.386 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -90.87 144.08 26.06 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.028 0.831 . . . . 0.0 113.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.4 153.15 79.03 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.14 1.376 . . . . 0.0 112.152 170.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.57 -32.25 0.67 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.286 2.658 . . . . 0.0 113.554 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.01 -52.03 8.78 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.027 0.83 . . . . 0.0 111.058 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.3 mmm -89.03 -11.8 43.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.549 1.54 . . . . 0.0 113.86 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 58.56 37.05 25.48 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.755 2.022 . . . . 0.0 113.423 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -142.83 172.01 13.27 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.034 1.334 . . . . 0.0 111.516 -176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.07 118.43 9.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 109.294 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -66.7 -39.58 88.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m 71.7 -35.49 0.33 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.335 2.654 . . . . 0.0 112.62 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.64 83.67 14.17 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 126.982 2.113 . . . . 0.0 110.436 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.76 135.39 23.6 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.345 2.697 . . . . 0.0 110.415 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.41 127.92 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.585 1.554 . . . . 0.0 109.277 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -89.88 137.47 32.31 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.954 1.302 . . . . 0.0 111.551 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -95.72 164.93 17.64 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 126.942 2.097 . . . . 0.0 110.804 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.5 -21.88 59.57 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.77 2.98 . . . . 0.0 113.115 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.6 p -69.82 -11.05 60.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.28 1.432 . . . . 0.0 114.095 170.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 -8.57 79.54 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.041 1.781 . . . . 0.0 113.933 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -68.18 145.86 53.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.102 1.761 . . . . 0.0 110.044 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.08 135.08 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.292 1.037 . . . . 0.0 109.334 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.5 tpp -135.96 165.4 25.75 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.829 1.652 . . . . 0.0 110.44 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.06 137.72 47.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 111.613 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -52.29 -48.84 65.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.606 1.562 . . . . 0.0 113.11 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -70.79 -39.48 73.12 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.341 -0.849 . . . . 0.0 112.553 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -64.76 -44.03 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.299 0.954 . . . . 0.0 111.903 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.93 -44.62 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.251 0.932 . . . . 0.0 111.838 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.31 -28.74 66.53 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.149 0.886 . . . . 0.0 112.942 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -68.72 -37.06 79.2 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.355 0.662 . . . . 0.0 111.369 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -72.58 -36.25 68.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 113.186 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 mt -54.93 -34.67 63.4 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.84 -31.83 73.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 113.117 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.48 -44.63 17.14 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.017 0.927 . . . . 0.0 112.421 175.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.9 p -163.07 151.48 11.89 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.928 1.291 . . . . 0.0 110.712 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.04 59.4 6.5 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.326 3.351 . . . . 0.0 111.513 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 p -149.58 163.71 37.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.221 1.408 . . . . 0.0 113.258 -168.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.05 137.78 97.21 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 126.29 1.836 . . . . 0.0 113.204 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.51 -17.77 33.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.939 3.092 . . . . 0.0 116.398 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -122.6 7.86 9.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.736 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.0 -27.4 0.13 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.767 1.227 . . . . 0.0 114.066 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.272 57.0 mtp180 61.25 28.93 18.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.952 2.101 . . . . 0.0 115.069 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.08 156.11 36.96 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.709 -0.619 . . . . 0.0 109.675 156.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.1 mmm -60.87 143.45 54.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.511 0.724 . . . . 0.0 112.5 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -155.52 136.71 13.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.709 1.604 . . . . 0.0 110.424 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.4 m -133.31 152.64 51.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.569 1.948 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.91 -29.1 62.74 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.306 1.043 . . . . 0.0 113.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p -69.98 -14.82 62.88 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.934 1.294 . . . . 0.0 113.985 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.3 mtt -90.79 -10.11 44.06 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.351 1.46 . . . . 0.0 113.281 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -86.41 150.94 23.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.793 1.637 . . . . 0.0 112.172 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -149.5 118.62 3.85 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 124.622 1.169 . . . . 0.0 110.324 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.83 139.76 89.85 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.111 3.207 . . . . 0.0 112.83 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.85 115.58 64.86 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.713 1.205 . . . . 0.0 110.271 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.6 -40.5 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.53 2.153 . . . . 0.0 112.839 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.37 -19.98 65.5 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -91.42 -45.68 8.42 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.052 0.941 . . . . 0.0 111.713 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.61 -40.12 93.7 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.568 1.076 . . . . 0.0 113.007 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.95 -31.73 70.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.173 0.989 . . . . 0.0 112.331 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.48 -41.65 62.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.627 0.649 . . . . 0.0 112.089 172.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.4 -48.51 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.736 1.214 . . . . 0.0 111.731 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.96 -32.15 73.2 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.1 76.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.547 0.739 . . . . 0.0 111.539 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -64.93 -47.9 76.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.825 0.85 . . . . 0.0 111.918 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.6 mtm -58.24 -34.27 70.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.611 0.765 . . . . 0.0 112.726 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -60.19 -44.85 94.76 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.721 0.691 . . . . 0.0 111.336 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 123.489 0.716 . . . . 0.0 112.787 177.764 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -61.25 -23.56 65.74 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.659 -1.276 . . . . 0.0 113.337 175.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -84.04 -6.94 59.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.146 1.378 . . . . 0.0 114.186 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 137.18 97.03 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 119.614 1.097 . . . . 0.0 112.302 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.63 158.0 47.84 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 124.118 3.212 . . . . 0.0 111.317 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.92 -28.03 65.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 113.882 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.99 -15.56 61.54 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.4 -5.12 40.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.647 1.179 . . . . 0.0 112.776 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -103.63 154.1 19.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 112.99 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 142.54 62.89 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.177 0.591 . . . . 0.0 111.924 164.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.78 -25.78 8.83 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.42 2.746 . . . . 0.0 113.332 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.95 -52.89 8.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.77 0.828 . . . . 0.0 110.676 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 93.3 mmm -102.49 -13.33 17.27 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.78 5.89 5.29 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.793 2.437 . . . . 0.0 114.188 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.0 p -90.25 160.83 15.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.199 1.4 . . . . 0.0 111.581 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.67 112.78 6.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.613 0.765 . . . . 0.0 109.079 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -71.63 -40.03 70.01 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -166.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.285 4.7 t 55.04 -16.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 130.45 3.5 . . . . 0.0 116.967 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -117.86 73.54 9.12 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.785 2.034 . . . . 0.0 110.554 167.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.27 136.29 24.03 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.374 2.716 . . . . 0.0 110.173 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -134.39 134.49 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.807 1.643 . . . . 0.0 109.862 -174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -88.52 133.25 34.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.415 1.886 . . . . 0.0 110.379 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -98.93 157.8 33.47 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.051 2.141 . . . . 0.0 109.242 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.27 -25.2 49.94 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.045 2.496 . . . . 0.0 114.489 -166.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -77.57 0.64 22.26 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.04 4.59 68.83 Favored Glycine 0 N--CA 1.477 1.422 0 C-N-CA 125.357 1.456 . . . . 0.0 114.666 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 m -74.18 145.08 44.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.262 1.425 . . . . 0.0 109.521 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -106.39 137.41 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 109.596 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 tpp -137.68 164.16 29.52 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.329 1.852 . . . . 0.0 110.515 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.11 137.37 38.17 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.557 1.143 . . . . 0.0 111.191 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -54.33 -46.24 72.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.2 1.0 . . . . 0.0 112.897 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.37 -39.34 81.83 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.205 -0.934 . . . . 0.0 112.246 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.02 -44.39 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.439 -0.788 . . . . 0.0 111.74 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.06 -45.43 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.391 0.996 . . . . 0.0 111.518 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.37 -33.28 75.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.314 1.415 . . . . 0.0 112.592 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -64.1 -44.65 91.66 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.85 0.86 . . . . 0.0 111.042 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.56 -40.89 89.24 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.258 -0.901 . . . . 0.0 111.415 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.23 -36.17 77.12 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.441 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.31 -31.16 72.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.131 0.972 . . . . 0.0 112.444 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.65 -48.07 17.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 111.711 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 p -168.54 146.51 3.49 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.064 1.346 . . . . 0.0 111.378 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.74 64.73 8.73 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.046 3.164 . . . . 0.0 111.612 -173.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -141.23 158.05 44.42 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.47 1.508 . . . . 0.0 112.042 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.84 135.63 89.96 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 124.746 1.218 . . . . 0.0 111.571 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.98 -13.92 41.73 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.778 3.652 . . . . 0.0 115.251 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -130.64 -24.92 2.42 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -107.36 -19.64 13.52 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.39 1.076 . . . . 0.0 113.451 -173.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 64.76 11.1 6.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.041 2.136 . . . . 0.0 115.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.54 158.53 20.82 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.357 -0.839 . . . . 0.0 110.894 165.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -56.16 134.31 52.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.037 0.935 . . . . 0.0 110.743 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 131.81 10.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.095 0.958 . . . . 0.0 110.597 -173.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 61' ' ' SER . 1.3 t -148.52 177.86 9.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.947 . . . . 0.0 112.521 173.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.58 -25.97 54.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.171 1.789 . . . . 0.0 113.276 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.519 ' H ' HG23 ' A' ' 59' ' ' THR . 80.7 p -76.92 -15.22 59.74 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtt -96.84 -1.57 45.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.578 1.551 . . . . 0.0 113.025 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -90.54 152.51 20.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.894 1.678 . . . . 0.0 112.27 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -158.4 116.33 1.76 Allowed Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.428 1.491 . . . . 0.0 109.778 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -57.58 139.14 89.27 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.993 2.462 . . . . 0.0 113.242 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.35 115.59 65.0 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.732 1.213 . . . . 0.0 110.626 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.05 -35.19 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.007 2.471 . . . . 0.0 113.178 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.07 -19.47 64.88 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.11 -46.13 7.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.226 1.01 . . . . 0.0 111.693 169.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -55.86 -43.42 77.08 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.39 0.996 . . . . 0.0 112.677 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.79 -35.93 82.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.69 1.196 . . . . 0.0 112.426 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -73.42 -41.72 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.816 0.846 . . . . 0.0 112.05 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.63 -48.66 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.321 1.048 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.94 -32.49 74.02 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.66 0.663 . . . . 0.0 112.651 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.07 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.458 0.703 . . . . 0.0 111.66 173.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.98 -44.11 85.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.604 0.762 . . . . 0.0 112.113 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.81 -35.85 81.24 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.283 -0.886 . . . . 0.0 112.219 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.71 81.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.682 0.674 . . . . 0.0 112.1 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 123.957 0.903 . . . . 0.0 112.376 173.421 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -61.46 -15.06 33.85 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.451 -1.406 . . . . 0.0 113.638 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.48 -5.61 56.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.223 2.209 . . . . 0.0 113.538 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 142.4 96.87 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 120.75 -1.219 . . . . 0.0 113.213 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -69.54 156.26 64.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.985 2.457 . . . . 0.0 110.665 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.72 -25.74 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.69 -16.57 62.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.596 1.158 . . . . 0.0 113.928 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -91.57 -5.86 53.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.723 1.209 . . . . 0.0 113.106 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -104.32 145.55 30.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.83 134.15 34.27 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.981 168.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.97 -11.83 32.84 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.816 2.344 . . . . 0.0 115.763 -172.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -77.43 -55.21 5.58 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.318 1.417 . . . . 0.0 110.568 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.0 mmt -91.45 -13.59 32.02 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 66.7 15.26 10.08 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.014 2.126 . . . . 0.0 114.085 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -134.77 167.85 20.1 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.113 1.765 . . . . 0.0 111.703 -173.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.59 121.9 12.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.26 1.824 . . . . 0.0 111.463 -170.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -78.25 -38.96 41.65 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 p 67.36 -27.73 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 128.965 2.906 . . . . 0.0 115.03 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.71 80.53 40.28 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.193 1.797 . . . . 0.0 110.648 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.41 135.52 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.445 2.763 . . . . 0.0 111.043 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.81 134.04 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.33 1.852 . . . . 0.0 109.221 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.52 133.94 34.71 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.36 1.064 . . . . 0.0 110.715 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -82.94 163.71 49.83 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.01 1.724 . . . . 0.0 110.183 169.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.48 -21.96 59.61 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.375 2.716 . . . . 0.0 113.409 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 p -69.33 -12.15 61.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.839 1.656 . . . . 0.0 114.224 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.17 -6.61 82.5 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.021 1.772 . . . . 0.0 114.133 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -65.11 134.7 54.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.303 1.441 . . . . 0.0 110.499 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.56 137.54 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.455 1.102 . . . . 0.0 109.834 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.6 ttm -148.06 161.13 42.02 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.697 1.599 . . . . 0.0 110.876 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.3 134.48 46.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.726 . . . . 0.0 112.429 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -49.86 -54.75 17.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.039 1.736 . . . . 0.0 113.168 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.8 m -68.71 -36.23 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.311 0.645 . . . . 0.0 112.061 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.7 mt -70.14 -45.22 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.96 -1.087 . . . . 0.0 111.375 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -65.44 -41.07 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 120.222 1.374 . . . . 0.0 112.612 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.44 -32.73 71.85 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.68 1.127 . . . . 0.0 112.486 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -70.62 -34.54 72.21 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.6 0.636 . . . . 0.0 111.552 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -72.18 -39.43 68.66 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.735 0.698 . . . . 0.0 112.043 173.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.33 -36.61 68.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.588 1.155 . . . . 0.0 113.176 172.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.91 -30.25 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.197 0.999 . . . . 0.0 112.343 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.47 -50.77 7.45 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.423 1.089 . . . . 0.0 112.089 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.24 147.41 19.6 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.58 1.552 . . . . 0.0 111.909 -170.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -81.16 50.52 3.58 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.266 3.311 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -145.39 164.45 31.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.964 1.705 . . . . 0.0 112.593 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.27 132.84 87.71 Favored Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.147 2.179 . . . . 0.0 111.635 173.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -65.94 -18.71 57.78 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.604 3.536 . . . . 0.0 115.31 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -114.26 -43.42 3.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.481 1.112 . . . . 0.0 112.273 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -99.13 -22.67 15.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 -169.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 69.54 7.85 6.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 127.463 2.305 . . . . 0.0 114.585 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -58.8 151.93 20.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.755 1.222 . . . . 0.0 110.529 162.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.07 144.18 54.05 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.813 -0.555 . . . . 0.0 112.063 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.72 138.23 15.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.435 1.494 . . . . 0.0 110.341 -170.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.0 m -130.13 151.34 50.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.477 1.511 . . . . 0.0 110.163 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -40.83 64.24 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.158 1.383 . . . . 0.0 112.822 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -66.93 -13.12 61.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.863 1.265 . . . . 0.0 114.162 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mtt -91.97 -8.87 44.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.136 1.374 . . . . 0.0 112.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.81 150.25 24.68 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.231 1.412 . . . . 0.0 112.143 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -153.99 124.36 3.4 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.716 1.206 . . . . 0.0 110.808 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -56.25 141.54 88.3 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.75 2.966 . . . . 0.0 113.186 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 t -96.51 109.45 48.03 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.555 1.142 . . . . 0.0 110.643 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.49 -35.4 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.397 2.065 . . . . 0.0 112.435 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.63 -17.93 64.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt -94.79 -42.97 8.45 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.211 1.004 . . . . 0.0 111.685 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.78 -40.85 94.13 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.362 0.983 . . . . 0.0 112.409 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.39 -34.83 79.22 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.504 1.121 . . . . 0.0 112.132 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -73.34 -40.22 64.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.132 0.573 . . . . 0.0 112.328 174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mt -59.82 -51.25 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.061 0.944 . . . . 0.0 110.903 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.31 -32.25 73.55 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.45 79.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.406 0.682 . . . . 0.0 111.662 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -62.45 -46.9 86.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.367 0.667 . . . . 0.0 112.055 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.7 mtp -58.75 -40.0 82.57 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.84 0.746 . . . . 0.0 112.132 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.13 -39.38 89.81 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.526 0.73 . . . . 0.0 112.303 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.969 0.804 . . . . 0.0 112.01 172.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -60.37 -17.76 45.73 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.621 -1.3 . . . . 0.0 112.464 164.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.94 -8.62 54.38 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.34 1.856 . . . . 0.0 113.904 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 153.0 90.22 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 124.699 1.199 . . . . 0.0 113.063 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -67.54 157.65 60.79 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.803 3.002 . . . . 0.0 111.276 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.62 -24.26 65.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.06 -16.54 61.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.829 1.252 . . . . 0.0 114.131 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -97.28 -19.61 18.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.632 1.573 . . . . 0.0 112.592 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -99.92 127.68 46.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.188 0.995 . . . . 0.0 111.73 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.03 135.2 58.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.592 0.757 . . . . 0.0 110.182 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -73.65 -14.02 24.63 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.654 2.236 . . . . 0.0 115.653 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -91.65 -39.0 12.1 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.066 1.303 . . . . 0.0 110.867 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.3 ttt -67.46 -32.73 73.78 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.203 1.001 . . . . 0.0 113.247 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 73.78 -2.87 2.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.753 2.821 . . . . 0.0 113.751 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -144.83 -177.2 5.4 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.115 1.766 . . . . 0.0 110.966 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.16 122.69 14.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.294 1.437 . . . . 0.0 111.833 -172.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.43 -33.33 74.94 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 m 72.23 -42.27 0.53 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.913 2.485 . . . . 0.0 112.346 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.38 86.4 33.48 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.207 2.203 . . . . 0.0 110.519 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -73.16 135.85 23.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.829 3.02 . . . . 0.0 112.126 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.57 129.1 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.115 1.366 . . . . 0.0 110.089 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -89.39 140.61 29.34 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.801 1.64 . . . . 0.0 111.859 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.04 158.26 32.11 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.649 2.38 . . . . 0.0 109.552 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.03 -21.55 56.26 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.796 2.997 . . . . 0.0 113.307 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.0 p -68.86 -11.27 60.35 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.332 1.453 . . . . 0.0 114.567 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.2 74.11 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.363 1.459 . . . . 0.0 113.737 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -72.21 147.79 46.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.694 1.197 . . . . 0.0 109.74 173.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -119.04 133.63 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.716 1.206 . . . . 0.0 109.456 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 tpp -125.16 162.61 24.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.737 2.015 . . . . 0.0 111.758 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.42 133.0 50.37 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 163.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -52.08 -50.19 62.05 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.378 1.471 . . . . 0.0 113.716 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -69.37 -38.55 78.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.525 -0.734 . . . . 0.0 111.776 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.25 -44.37 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.026 -1.046 . . . . 0.0 111.311 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.69 -45.29 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.537 1.062 . . . . 0.0 111.387 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.85 -35.52 78.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.2 0.909 . . . . 0.0 112.158 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -35.53 80.19 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.728 0.695 . . . . 0.0 112.165 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -69.06 -46.15 68.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.921 0.782 . . . . 0.0 111.256 173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.94 -34.82 68.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.106 1.362 . . . . 0.0 113.285 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -33.22 66.78 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 113.129 172.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -89.59 -52.17 5.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.261 1.025 . . . . 0.0 112.164 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -149.29 139.98 13.82 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.61 1.564 . . . . 0.0 110.831 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.85 71.84 6.4 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.539 2.826 . . . . 0.0 110.705 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -143.77 156.44 44.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.556 1.542 . . . . 0.0 112.459 -173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -68.15 129.95 92.75 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.21 1.004 . . . . 0.0 110.75 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.57 -18.39 59.12 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.226 2.617 . . . . 0.0 115.194 -171.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -116.23 -36.66 3.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.479 1.112 . . . . 0.0 113.139 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -96.92 -24.8 15.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.724 1.21 . . . . 0.0 112.887 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 64.73 17.47 10.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.957 2.103 . . . . 0.0 114.354 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -63.95 163.11 12.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.563 0.745 . . . . 0.0 110.228 158.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.8 ttp -63.6 142.77 58.27 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.363 0.529 . . . . 0.0 111.311 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.87 112.87 3.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.461 1.505 . . . . 0.0 109.9 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 m -102.88 150.72 23.23 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.291 1.436 . . . . 0.0 110.503 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.24 -28.17 64.64 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.259 1.024 . . . . 0.0 113.572 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 -16.7 64.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.963 1.305 . . . . 0.0 113.564 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.1 mmt -91.05 -5.98 54.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.689 1.195 . . . . 0.0 113.526 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -81.86 149.82 28.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.075 1.35 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -156.01 118.0 2.27 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.741 1.216 . . . . 0.0 110.852 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -57.02 139.14 89.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.823 3.015 . . . . 0.0 112.32 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 69' ' ' LEU . 30.0 t -95.48 111.96 57.21 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.333 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -38.46 0.91 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.613 2.209 . . . . 0.0 112.153 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.08 -21.99 65.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' H ' HG12 ' A' ' 66' ' ' VAL . 72.7 mt -89.19 -45.87 9.23 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.799 0.84 . . . . 0.0 111.149 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -56.63 -43.78 80.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.081 1.31 . . . . 0.0 112.692 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.15 -32.83 73.37 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.196 0.998 . . . . 0.0 112.868 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -73.43 -41.54 63.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.997 0.519 . . . . 0.0 112.031 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -60.93 -50.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.094 1.358 . . . . 0.0 111.444 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.13 -32.02 73.44 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.65 68.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.66 0.784 . . . . 0.0 111.265 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.34 -43.03 98.91 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.734 -0.604 . . . . 0.0 111.909 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mtp -59.64 -41.12 89.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.72 0.808 . . . . 0.0 112.244 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -59.82 -47.07 87.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.524 0.602 . . . . 0.0 111.629 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.476 0.825 0 CA-C-N 119.124 0.875 . . . . 0.0 112.603 176.631 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.553 1.06 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 m -59.18 -23.34 62.16 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.843 -1.161 . . . . 0.0 113.763 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.24 -3.4 52.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.183 1.793 . . . . 0.0 114.059 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 144.2 97.57 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.018 -1.051 . . . . 0.0 112.716 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.49 155.23 55.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.516 2.811 . . . . 0.0 110.42 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.7 -24.73 67.81 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.78 -18.12 62.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.313 1.045 . . . . 0.0 113.814 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -96.92 -3.38 41.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.574 1.15 . . . . 0.0 113.205 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.35 143.59 35.42 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.266 1.026 . . . . 0.0 111.705 -172.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.06 134.81 23.27 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.284 1.034 . . . . 0.0 110.194 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -72.49 -14.17 27.71 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.451 2.767 . . . . 0.0 115.54 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.6 tm? -83.78 -45.78 12.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.943 1.247 . . . . 0.0 109.134 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.4 ttt -66.54 -33.61 76.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.963 1.305 . . . . 0.0 113.831 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 74.84 2.98 4.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.579 2.751 . . . . 0.0 113.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -151.66 -177.36 6.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.65 1.98 . . . . 0.0 111.025 -174.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.58 8.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.097 1.759 . . . . 0.0 111.185 -173.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -68.77 -35.0 76.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 75.39 -40.78 0.43 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.685 2.394 . . . . 0.0 112.155 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -119.71 84.57 31.25 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.921 2.088 . . . . 0.0 110.595 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.56 134.57 24.53 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.874 2.383 . . . . 0.0 111.341 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.92 130.69 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.805 1.642 . . . . 0.0 109.682 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.78 140.84 29.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.254 1.022 . . . . 0.0 111.693 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.73 162.87 32.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.996 2.118 . . . . 0.0 111.147 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.68 -22.6 69.95 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.307 2.671 . . . . 0.0 113.077 174.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 p -72.6 -8.68 56.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.031 1.333 . . . . 0.0 114.029 172.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.47 -9.5 77.08 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.004 1.764 . . . . 0.0 113.875 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.5 m -68.42 144.34 54.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.005 1.722 . . . . 0.0 110.635 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -102.48 140.96 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.707 1.203 . . . . 0.0 109.84 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.3 ttm -144.18 162.86 35.25 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.266 1.827 . . . . 0.0 111.354 -175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.41 131.79 45.33 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.345 0.658 . . . . 0.0 112.092 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -49.25 -55.67 11.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.261 1.824 . . . . 0.0 113.167 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -68.48 -36.26 78.71 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.252 -0.905 . . . . 0.0 112.324 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.97 -42.64 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.153 0.981 . . . . 0.0 111.858 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.1 -43.67 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 120.432 1.469 . . . . 0.0 112.26 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.5 -33.32 73.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.506 1.048 . . . . 0.0 112.277 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -64.95 -43.29 93.19 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.842 0.857 . . . . 0.0 110.639 172.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -68.4 -41.35 80.59 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.587 -0.696 . . . . 0.0 111.946 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.49 -35.87 72.89 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.583 1.153 . . . . 0.0 113.388 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.39 -26.28 68.39 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.974 0.909 . . . . 0.0 112.753 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.65 -48.23 7.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.602 1.161 . . . . 0.0 112.418 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -151.55 145.08 17.52 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.514 1.526 . . . . 0.0 111.509 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.39 57.11 6.32 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.249 3.299 . . . . 0.0 111.368 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 p -147.7 162.47 39.1 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.839 1.656 . . . . 0.0 112.443 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.78 135.11 85.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.203 1.801 . . . . 0.0 112.064 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.59 -23.36 64.04 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.634 2.89 . . . . 0.0 115.764 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 19' ' ' LEU . 91.1 m-85 -105.33 -42.92 5.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.696 1.199 . . . . 0.0 112.598 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -103.37 -24.26 13.5 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 113.271 -170.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 68.79 15.42 8.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.429 1.892 . . . . 0.0 114.38 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.32 158.83 34.27 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.316 0.646 . . . . 0.0 110.9 161.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -64.0 142.29 58.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.914 0.886 . . . . 0.0 112.591 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.5 140.88 17.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.667 1.587 . . . . 0.0 108.936 -172.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.6 p -134.03 152.3 51.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.537 1.135 . . . . 0.0 112.505 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.56 -28.82 65.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 113.93 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.65 -18.19 63.56 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.868 1.267 . . . . 0.0 113.462 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.8 mmt -98.95 -3.33 35.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.385 1.474 . . . . 0.0 113.538 -175.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.58 149.21 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.11 1.364 . . . . 0.0 111.903 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -157.84 131.45 4.8 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.495 1.518 . . . . 0.0 110.153 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.17 140.97 42.39 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.813 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.39 114.83 62.49 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 123.794 0.837 . . . . 0.0 110.953 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.35 -38.65 0.7 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.804 2.336 . . . . 0.0 113.095 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.19 -20.56 64.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.78 -45.59 8.33 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.394 1.078 . . . . 0.0 111.22 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -61.29 -37.81 84.55 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.764 1.165 . . . . 0.0 112.832 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.21 -34.94 77.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.685 1.194 . . . . 0.0 112.348 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -72.95 -40.24 65.52 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.488 -0.758 . . . . 0.0 111.744 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.57 -49.84 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.61 1.564 . . . . 0.0 111.536 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -31.61 72.29 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.696 0.68 . . . . 0.0 112.519 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.88 76.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.543 0.737 . . . . 0.0 111.846 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.63 -45.51 82.78 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.314 0.646 . . . . 0.0 112.317 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.2 mtm -58.73 -35.6 72.96 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.364 -0.835 . . . . 0.0 112.571 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -61.98 -38.31 88.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.608 0.763 . . . . 0.0 111.918 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 CA--C 1.544 0.746 0 CA-C-N 118.796 0.725 . . . . 0.0 112.608 175.237 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -64.87 -17.02 63.93 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.374 -1.454 . . . . 0.0 112.897 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.39 -8.49 54.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.37 1.868 . . . . 0.0 113.612 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 147.62 78.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 124.47 1.108 . . . . 0.0 113.044 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.16 157.33 57.7 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.954 3.103 . . . . 0.0 111.138 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -57.84 -28.74 64.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.545 1.138 . . . . 0.0 113.595 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.13 -16.8 61.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.605 1.162 . . . . 0.0 114.044 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -98.53 -5.22 32.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.613 1.165 . . . . 0.0 112.889 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -108.04 148.28 29.98 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.925 0.89 . . . . 0.0 112.9 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.2 162.28 64.73 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.682 173.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -91.92 -3.55 4.05 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.199 3.266 . . . . 0.0 116.176 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 tp -132.9 -53.04 0.92 Allowed 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 120.487 1.494 . . . . 0.0 113.566 -167.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.12 -25.46 62.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.606 1.563 . . . . 0.0 111.999 168.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 t0 59.38 55.46 4.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.973 2.509 . . . . 0.0 113.294 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 t -150.23 -178.43 6.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.956 1.702 . . . . 0.0 109.867 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.07 121.6 13.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.646 1.178 . . . . 0.0 109.437 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -72.56 -35.5 68.0 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 m 71.5 -31.7 0.23 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.016 2.527 . . . . 0.0 113.496 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -127.26 81.89 69.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 127.393 2.277 . . . . 0.0 110.188 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.17 136.07 26.17 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.186 2.59 . . . . 0.0 111.296 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -127.61 136.17 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.339 1.456 . . . . 0.0 110.45 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -88.18 125.84 34.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.475 2.31 . . . . 0.0 109.707 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -90.96 161.35 35.76 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.638 1.575 . . . . 0.0 109.747 168.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.14 -22.09 67.51 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 123.105 2.537 . . . . 0.0 114.044 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -73.7 -9.06 58.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.293 1.437 . . . . 0.0 114.21 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.89 1.4 79.96 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.781 1.658 . . . . 0.0 113.72 -172.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.6 m -69.12 140.07 54.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.928 1.291 . . . . 0.0 109.949 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.75 135.82 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.526 1.13 . . . . 0.0 109.514 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.2 ttm -142.25 160.9 39.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.061 1.744 . . . . 0.0 111.631 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -74.49 127.81 33.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.107 1.363 . . . . 0.0 110.746 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -48.61 -43.47 36.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 112.778 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -69.04 -31.17 69.76 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.471 -0.768 . . . . 0.0 112.352 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.59 -43.8 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.341 -0.849 . . . . 0.0 110.427 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.34 -40.38 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.796 0.725 . . . . 0.0 112.003 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.61 -37.25 79.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.395 0.998 . . . . 0.0 112.189 175.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -59.27 -42.87 92.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.352 0.661 . . . . 0.0 110.428 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -71.84 -41.66 67.88 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.72 -36.68 72.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.424 1.09 . . . . 0.0 112.989 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.06 -20.99 65.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.312 1.045 . . . . 0.0 113.316 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.17 -47.84 6.75 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.702 1.201 . . . . 0.0 112.115 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -154.69 150.75 22.18 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.534 1.534 . . . . 0.0 112.094 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.25 56.99 6.26 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.197 3.265 . . . . 0.0 111.512 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 p -140.68 158.42 44.0 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.158 1.783 . . . . 0.0 112.384 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.58 133.37 86.86 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.682 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.42 -20.17 54.79 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.619 2.879 . . . . 0.0 115.533 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -122.56 -34.07 3.31 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 113.212 -172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -95.81 -25.25 16.11 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.626 1.17 . . . . 0.0 112.744 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 65.13 16.63 10.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.021 2.128 . . . . 0.0 113.667 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.51 162.89 14.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.418 0.687 . . . . 0.0 110.637 159.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ttt -63.83 141.61 58.71 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.716 -0.615 . . . . 0.0 110.95 166.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -153.29 132.21 12.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.721 1.609 . . . . 0.0 109.428 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -127.14 152.93 46.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.204 1.402 . . . . 0.0 108.995 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.47 -22.85 35.09 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -64.66 -21.46 66.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.118 1.367 . . . . 0.0 113.871 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -91.76 -5.83 52.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.106 1.362 . . . . 0.0 112.683 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.73 153.91 20.34 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.925 1.29 . . . . 0.0 112.172 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.81 131.97 5.46 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.744 1.617 . . . . 0.0 109.1 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.85 142.68 39.63 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.134 2.556 . . . . 0.0 110.986 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.97 110.65 47.24 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 124.155 0.982 . . . . 0.0 110.719 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 -34.93 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.58 -44.44 8.21 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.982 0.913 . . . . 0.0 111.329 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -60.23 -37.88 81.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.441 1.019 . . . . 0.0 112.643 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.07 -35.25 79.41 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.427 1.091 . . . . 0.0 112.362 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.97 -42.19 63.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.109 0.564 . . . . 0.0 111.603 173.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.0 mt -60.58 -49.31 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.45 -33.01 74.94 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.031 0.832 . . . . 0.0 112.343 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.9 79.48 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.267 0.627 . . . . 0.0 111.494 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -65.59 -44.38 86.83 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.524 -0.735 . . . . 0.0 111.858 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.32 -43.25 99.18 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.645 0.778 . . . . 0.0 111.629 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -56.59 -47.65 79.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.867 0.758 . . . . 0.0 111.346 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 177.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -61.46 -17.31 53.87 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.354 -1.466 . . . . 0.0 112.987 171.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -75.3 -9.03 58.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.021 1.728 . . . . 0.0 113.724 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.07 142.55 98.22 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.825 0.85 . . . . 0.0 112.327 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -70.94 157.12 58.94 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.711 2.941 . . . . 0.0 111.585 177.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.42 -26.11 66.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.568 1.147 . . . . 0.0 114.016 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.45 -15.79 62.35 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.44 1.096 . . . . 0.0 113.945 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -100.52 -0.55 37.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.161 1.384 . . . . 0.0 112.518 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -116.01 145.8 42.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.013 1.325 . . . . 0.0 112.166 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -95.28 135.06 23.61 Favored Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 123.862 0.865 . . . . 0.0 110.931 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.92 -11.35 29.21 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.544 2.163 . . . . 0.0 115.497 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.21 -58.93 2.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.874 1.67 . . . . 0.0 109.915 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.4 mmt -85.55 -16.67 38.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.88 24.88 14.79 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 113.622 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -140.84 169.99 16.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.76 1.624 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 120.14 10.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.543 1.537 . . . . 0.0 111.013 -170.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -77.54 -27.46 51.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -171.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.5 p 57.18 -20.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.229 3.412 . . . . 0.0 117.294 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -128.62 77.19 77.8 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.339 2.255 . . . . 0.0 109.733 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.79 135.0 27.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.264 2.643 . . . . 0.0 110.374 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -131.34 133.82 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.142 1.777 . . . . 0.0 109.796 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -88.8 133.57 34.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.0 mt -94.02 160.31 32.56 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.755 2.022 . . . . 0.0 110.345 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.4 -21.55 60.67 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.215 2.61 . . . . 0.0 113.514 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -70.04 -10.48 58.83 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.994 1.317 . . . . 0.0 114.286 170.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.42 -6.23 82.39 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.9 1.714 . . . . 0.0 113.628 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -68.84 143.9 54.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.714 1.606 . . . . 0.0 110.103 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.5 137.31 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.451 1.101 . . . . 0.0 109.742 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 tpp -133.74 157.62 45.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.016 2.126 . . . . 0.0 110.453 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -71.3 125.44 26.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 110.078 167.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -43.57 -50.79 7.16 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.785 1.634 . . . . 0.0 113.236 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -70.29 -30.35 67.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 -173.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.27 -41.45 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.799 0.839 . . . . 0.0 110.664 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.12 -44.19 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.488 1.04 . . . . 0.0 111.953 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.5 -31.61 72.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.677 1.126 . . . . 0.0 112.699 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -68.11 -33.52 74.67 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.324 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -75.77 -43.05 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.477 -0.764 . . . . 0.0 111.779 172.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.87 -35.89 73.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.518 1.127 . . . . 0.0 113.353 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.3 tp -55.69 -32.49 63.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 112.994 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.47 -50.46 5.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.391 1.077 . . . . 0.0 112.231 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -151.11 147.78 21.32 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.973 1.309 . . . . 0.0 112.046 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -80.51 59.63 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.043 3.162 . . . . 0.0 111.039 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -141.26 153.32 45.16 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.595 1.158 . . . . 0.0 113.68 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 140.16 94.48 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 125.269 1.428 . . . . 0.0 111.742 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.32 -18.56 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.663 2.909 . . . . 0.0 116.268 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -121.42 -23.47 5.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -174.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -120.92 -24.68 5.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 0.0 112.933 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 67.05 22.61 9.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.049 1.74 . . . . 0.0 113.645 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.75 166.92 6.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.187 0.595 . . . . 0.0 110.541 159.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tpt -58.18 137.86 56.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.282 1.033 . . . . 0.0 111.526 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 139.61 15.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 109.657 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 m -140.81 153.06 45.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.191 1.396 . . . . 0.0 109.815 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.83 -23.14 60.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 p -74.11 -15.28 61.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.087 1.355 . . . . 0.0 113.837 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.6 mtt -86.37 -10.35 54.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.184 1.394 . . . . 0.0 113.314 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.33 151.91 23.67 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.898 1.679 . . . . 0.0 112.549 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -155.88 123.27 2.76 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.114 1.366 . . . . 0.0 110.169 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.2 139.46 90.08 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.825 3.017 . . . . 0.0 113.133 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -90.99 113.58 58.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.769 1.227 . . . . 0.0 110.332 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -76.28 -39.53 0.81 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.622 2.215 . . . . 0.0 112.28 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.98 -20.27 65.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -92.06 -45.27 8.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.939 0.896 . . . . 0.0 111.53 170.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.15 -40.03 94.61 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.717 1.144 . . . . 0.0 112.48 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -67.29 -32.1 72.86 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.393 1.077 . . . . 0.0 112.536 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -73.01 -41.77 63.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.651 0.659 . . . . 0.0 112.532 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.75 -46.87 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.684 1.193 . . . . 0.0 111.947 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.64 -32.68 74.38 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.95 71.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.612 0.765 . . . . 0.0 111.7 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -64.88 -47.04 79.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.033 0.933 . . . . 0.0 112.22 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.0 mtm -58.8 -40.18 83.33 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.982 0.81 . . . . 0.0 111.662 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -64.59 -41.92 95.92 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.126 0.57 . . . . 0.0 112.009 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.929 0.786 . . . . 0.0 112.663 176.482 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 CA--C 1.55 0.961 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -62.39 -21.35 65.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.491 -1.381 . . . . 0.0 113.539 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -79.02 -4.93 52.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.756 1.622 . . . . 0.0 114.553 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 134.65 91.49 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-N 119.186 0.903 . . . . 0.0 112.272 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -70.08 157.19 60.56 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.524 2.816 . . . . 0.0 110.902 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.65 -28.73 67.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.88 -15.38 62.62 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -92.81 -9.25 41.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.347 1.059 . . . . 0.0 112.873 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -102.12 148.63 25.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.846 1.258 . . . . 0.0 112.208 -173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -100.61 134.2 20.75 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.041 0.936 . . . . 0.0 110.71 167.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -69.55 -10.78 29.6 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.913 2.409 . . . . 0.0 116.162 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.95 -48.82 13.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.094 1.77 . . . . 0.0 111.375 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.42 -19.24 31.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.7 t70 67.7 13.85 9.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.372 2.269 . . . . 0.0 113.617 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t -146.79 -179.61 6.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.04 1.736 . . . . 0.0 110.971 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 120.19 7.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.409 1.884 . . . . 0.0 112.397 -168.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -73.47 -34.59 65.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m 71.87 -39.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.293 2.637 . . . . 0.0 112.7 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -118.64 84.13 23.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.545 2.338 . . . . 0.0 110.808 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.11 135.13 22.41 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.56 2.84 . . . . 0.0 111.952 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.74 129.45 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.233 1.813 . . . . 0.0 109.828 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -90.1 135.82 33.42 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.938 2.095 . . . . 0.0 112.06 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.18 160.8 24.87 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.885 2.074 . . . . 0.0 110.143 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -69.31 -21.35 35.71 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.865 3.043 . . . . 0.0 113.251 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 p -66.58 -11.57 53.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.477 1.511 . . . . 0.0 113.785 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.94 76.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.756 1.646 . . . . 0.0 113.822 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -65.94 141.88 58.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.477 1.511 . . . . 0.0 110.078 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -110.77 136.62 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.484 1.113 . . . . 0.0 108.986 168.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.3 ttm -138.68 159.64 41.6 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.456 1.902 . . . . 0.0 110.914 -170.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.79 125.34 25.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.601 1.16 . . . . 0.0 110.949 171.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -46.69 -54.22 10.08 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.295 1.838 . . . . 0.0 112.568 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 m -69.35 -36.14 76.58 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.555 -0.716 . . . . 0.0 111.376 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.15 -47.57 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.58 0.627 . . . . 0.0 110.77 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.17 -43.91 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.525 1.057 . . . . 0.0 112.367 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.47 -33.39 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.82 1.191 . . . . 0.0 112.249 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.97 -44.36 92.96 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.662 0.665 . . . . 0.0 110.364 172.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -66.2 -41.39 90.27 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.677 -0.639 . . . . 0.0 112.038 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -35.6 71.7 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.041 0.936 . . . . 0.0 113.521 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.7 -22.07 66.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.872 0.869 . . . . 0.0 113.339 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.48 -50.4 5.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.546 1.138 . . . . 0.0 112.108 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.2 m -150.26 143.36 16.47 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.373 1.469 . . . . 0.0 111.725 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -79.97 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.04 3.16 . . . . 0.0 110.965 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -143.79 158.8 43.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.491 1.516 . . . . 0.0 112.622 -169.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.17 126.5 91.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.808 1.243 . . . . 0.0 110.411 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -60.98 -24.71 80.13 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.851 3.034 . . . . 0.0 115.328 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.12 -42.65 5.03 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.168 0.987 . . . . 0.0 112.881 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -93.87 -26.14 17.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.0 0.92 . . . . 0.0 112.661 -172.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 75.65 4.93 3.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.998 2.519 . . . . 0.0 114.373 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -62.32 160.91 12.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.751 0.705 . . . . 0.0 110.778 166.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 90.2 mtp -69.32 148.9 49.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.3 0.572 . . . . 0.0 111.678 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -161.8 137.65 7.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.789 1.636 . . . . 0.0 108.469 -170.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.9 p -130.49 163.2 27.53 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.776 1.23 . . . . 0.0 112.748 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.84 -27.23 50.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.465 1.506 . . . . 0.0 114.164 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -75.42 -13.61 60.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.856 1.262 . . . . 0.0 113.832 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.0 mtt -92.47 -7.15 48.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.339 1.456 . . . . 0.0 113.303 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.86 154.04 21.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.255 1.422 . . . . 0.0 112.559 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -161.56 126.71 2.17 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.429 1.492 . . . . 0.0 110.001 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -71.68 141.62 38.12 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.028 2.485 . . . . 0.0 111.776 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.55 117.86 67.78 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.631 0.772 . . . . 0.0 110.457 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.53 -39.86 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 113.247 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.29 -33.26 75.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.975 0.807 . . . . 0.0 112.439 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.19 -46.03 24.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.657 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.22 -42.24 98.27 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.981 1.264 . . . . 0.0 112.251 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.78 -34.75 78.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.464 1.105 . . . . 0.0 111.842 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.6 -42.08 64.92 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.711 -0.618 . . . . 0.0 112.435 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.69 -50.98 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.007 1.323 . . . . 0.0 111.472 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -64.32 -32.48 74.1 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.9 -45.07 79.12 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.404 0.682 . . . . 0.0 111.617 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.01 -39.87 87.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.85 0.86 . . . . 0.0 112.344 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.9 mtp -61.3 -40.34 93.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.916 0.887 . . . . 0.0 111.666 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -40.04 88.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.364 0.665 . . . . 0.0 111.504 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 124.035 0.934 . . . . 0.0 112.516 175.798 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.8 m -67.23 -17.91 65.01 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.428 -1.42 . . . . 0.0 112.213 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.87 -8.68 58.41 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.256 1.822 . . . . 0.0 113.596 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.25 143.92 94.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 121.051 -1.031 . . . . 0.0 111.93 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.57 156.93 57.11 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.475 2.783 . . . . 0.0 111.243 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.83 -20.4 65.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.346 1.059 . . . . 0.0 113.716 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -18.89 61.28 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.078 0.951 . . . . 0.0 113.406 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -97.34 -8.55 29.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 113.293 173.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -108.79 136.87 47.64 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.675 1.19 . . . . 0.0 112.098 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.97 138.31 49.71 Favored Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.407 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.15 -15.19 45.75 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.957 2.438 . . . . 0.0 116.146 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -84.3 -60.44 2.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.636 1.562 . . . . 0.0 110.896 172.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -87.4 -12.83 45.09 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 68.64 -1.62 1.91 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.967 2.507 . . . . 0.0 114.393 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -104.78 166.29 10.49 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.246 1.818 . . . . 0.0 111.862 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.63 118.9 8.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.626 1.57 . . . . 0.0 110.006 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -70.64 -31.2 68.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p 59.66 -29.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 130.075 3.35 . . . . 0.0 116.409 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.51 80.64 30.66 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 127.398 2.279 . . . . 0.0 109.6 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.82 134.81 22.45 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.128 2.552 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -131.38 132.5 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.411 1.484 . . . . 0.0 109.694 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -88.95 135.94 33.28 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.66 1.584 . . . . 0.0 110.736 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.2 161.23 33.55 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.863 2.065 . . . . 0.0 110.407 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.52 -22.28 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.425 2.75 . . . . 0.0 113.265 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -71.58 -8.52 54.52 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.258 1.423 . . . . 0.0 114.21 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -11.38 71.76 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.9 1.714 . . . . 0.0 113.877 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 m -67.52 146.6 53.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.417 1.887 . . . . 0.0 110.19 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.9 t -111.44 139.99 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.539 1.136 . . . . 0.0 110.079 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.6 tpp -140.61 162.97 34.11 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.987 2.115 . . . . 0.0 111.628 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.28 129.58 40.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.602 1.161 . . . . 0.0 112.16 172.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -49.85 -53.39 25.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.137 1.775 . . . . 0.0 113.803 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.15 -36.29 79.44 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.867 0.467 . . . . 0.0 111.602 -174.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -70.76 -45.16 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.706 0.803 . . . . 0.0 110.895 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.14 -46.04 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.402 1.001 . . . . 0.0 112.156 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.22 -32.72 73.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.277 0.944 . . . . 0.0 112.214 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.61 -34.57 74.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.869 0.758 . . . . 0.0 112.136 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -73.04 -35.61 66.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.157 0.89 . . . . 0.0 112.361 173.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.19 -35.42 73.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.388 0.994 . . . . 0.0 112.926 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.81 -19.59 64.29 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.996 0.918 . . . . 0.0 113.38 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -87.8 -43.32 11.94 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.831 1.252 . . . . 0.0 112.799 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -164.3 153.87 12.16 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.562 1.945 . . . . 0.0 111.006 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.25 58.45 6.64 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.328 3.352 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -147.96 158.5 44.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.766 1.627 . . . . 0.0 112.927 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.17 125.88 90.64 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 126.625 1.97 . . . . 0.0 111.579 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -59.35 -27.07 84.02 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.285 2.656 . . . . 0.0 115.319 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.16 -4.81 25.23 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -159.33 -17.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 74.99 25.56 1.37 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.353 1.861 . . . . 0.0 114.228 169.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -60.81 155.74 18.79 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.872 -0.518 . . . . 0.0 109.852 157.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -64.37 135.48 56.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 110.703 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.54 146.03 28.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.105 1.362 . . . . 0.0 109.977 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 m -144.89 154.07 42.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.963 1.705 . . . . 0.0 109.14 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.44 -23.51 57.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 p -74.28 -15.5 60.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.128 1.371 . . . . 0.0 113.798 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.3 mmt -86.87 -10.52 53.22 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.164 1.386 . . . . 0.0 112.928 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.29 154.33 21.33 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.399 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -156.38 125.32 3.03 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 109.971 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.67 138.48 35.01 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.429 2.086 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.3 t -91.0 117.25 67.78 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.608 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.7 -38.44 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.576 2.184 . . . . 0.0 113.031 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.34 -38.68 90.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.453 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.08 -44.03 61.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.593 -0.692 . . . . 0.0 111.519 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.05 -43.32 99.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.989 1.268 . . . . 0.0 112.268 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.66 -36.9 84.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.983 1.313 . . . . 0.0 111.861 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -73.04 -36.95 67.03 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.57 -0.706 . . . . 0.0 112.9 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.75 -48.82 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.538 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.79 -32.24 73.4 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.809 0.731 . . . . 0.0 112.332 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.03 86.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.754 0.706 . . . . 0.0 112.372 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -71.9 -48.07 48.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.784 0.834 . . . . 0.0 111.817 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 54.6 mtm -58.15 -33.27 69.01 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 113.411 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -54.82 -45.54 74.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.706 0.802 . . . . 0.0 111.325 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 CA--C 1.543 0.676 0 O-C-N 121.714 -0.616 . . . . 0.0 112.53 -178.136 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -60.56 -18.88 55.34 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.273 -1.517 . . . . 0.0 113.553 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -73.73 -8.65 56.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.369 1.468 . . . . 0.0 113.74 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 140.93 97.07 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.231 -0.918 . . . . 0.0 111.737 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.55 157.44 52.65 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.89 3.06 . . . . 0.0 111.439 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.97 -27.97 67.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.657 1.183 . . . . 0.0 113.367 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.16 -17.83 62.52 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -97.61 -0.5 45.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.937 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -117.4 148.92 41.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.449 1.1 . . . . 0.0 112.662 -171.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.24 149.48 65.92 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 123.764 0.825 . . . . 0.0 111.636 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.71 -37.73 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.062 2.508 . . . . 0.0 113.111 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.57 -43.76 18.25 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.185 0.994 . . . . 0.0 112.397 -172.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 97.5 mtp -90.67 -11.66 39.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t0 58.2 30.91 20.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.031 2.133 . . . . 0.0 114.411 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -126.24 164.02 21.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.865 1.266 . . . . 0.0 111.91 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.82 115.44 8.16 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.098 1.359 . . . . 0.0 108.345 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -72.37 -31.06 65.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -164.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 p 57.06 -19.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 129.911 3.285 . . . . 0.0 116.821 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -129.81 76.56 78.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.906 2.082 . . . . 0.0 110.463 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.8 135.8 26.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.728 2.952 . . . . 0.0 111.078 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -133.21 133.88 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.365 1.866 . . . . 0.0 109.55 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -90.38 142.76 27.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.72 162.0 32.43 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 127.709 2.403 . . . . 0.0 109.614 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.94 -22.39 42.23 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.538 2.826 . . . . 0.0 112.79 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 m -70.87 -6.66 39.88 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.63 79.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.066 1.793 . . . . 0.0 114.596 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -69.86 152.01 45.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.506 2.323 . . . . 0.0 111.739 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.8 142.31 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.714 1.206 . . . . 0.0 110.908 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 tpp -140.1 164.41 30.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.331 1.852 . . . . 0.0 111.432 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.3 137.5 53.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.386 1.074 . . . . 0.0 111.954 169.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -53.27 -47.96 68.69 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.791 1.236 . . . . 0.0 113.444 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -70.4 -39.48 74.47 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.703 -0.623 . . . . 0.0 112.626 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.06 -44.01 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.319 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -66.35 -43.16 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.162 0.892 . . . . 0.0 112.092 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.71 -33.75 72.93 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.807 1.185 . . . . 0.0 112.138 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -62.01 -41.91 98.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.98 0.912 . . . . 0.0 111.014 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -68.47 -42.88 78.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.137 0.426 . . . . 0.0 112.085 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.42 -34.61 77.1 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.83 -29.32 66.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.999 0.92 . . . . 0.0 112.572 171.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -88.88 -52.57 5.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.37 1.068 . . . . 0.0 112.33 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.0 m -150.81 141.17 14.44 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.315 1.446 . . . . 0.0 111.827 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -79.67 58.83 7.15 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 124.527 3.485 . . . . 0.0 111.593 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.7 p -141.7 160.49 40.08 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.162 2.185 . . . . 0.0 111.735 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.02 136.26 91.88 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 124.735 1.214 . . . . 0.0 111.721 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.95 -14.28 43.11 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.073 3.182 . . . . 0.0 115.358 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -129.46 -32.43 1.96 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -23.83 16.72 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.776 1.23 . . . . 0.0 112.276 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 67.12 10.98 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.147 2.179 . . . . 0.0 115.114 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.43 155.97 35.99 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.545 0.738 . . . . 0.0 110.035 164.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.93 141.63 57.9 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.336 0.516 . . . . 0.0 112.19 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -151.38 126.81 10.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.269 1.028 . . . . 0.0 110.758 -173.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -123.29 153.39 40.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.152 1.781 . . . . 0.0 109.651 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.73 -26.21 61.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 113.363 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 p -66.83 -16.57 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.947 1.299 . . . . 0.0 114.209 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mmt -87.66 -11.6 47.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.73 1.212 . . . . 0.0 113.43 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.2 mt -84.87 147.94 26.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.16 1.384 . . . . 0.0 112.43 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -160.58 131.73 3.86 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.531 1.533 . . . . 0.0 109.676 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.83 142.39 39.12 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.973 2.449 . . . . 0.0 111.481 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.89 113.96 62.49 Favored Pre-proline 0 N--CA 1.48 1.075 0 C-N-CA 124.569 1.148 . . . . 0.0 110.541 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.17 -37.54 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.895 2.396 . . . . 0.0 112.978 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.55 -33.97 76.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.61 1.096 . . . . 0.0 112.863 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -78.09 -41.15 36.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.566 0.746 . . . . 0.0 111.453 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.51 -41.41 98.51 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.249 1.386 . . . . 0.0 112.365 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.38 -31.39 70.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.63 1.172 . . . . 0.0 112.538 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -73.16 -42.23 63.01 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.618 0.645 . . . . 0.0 112.495 171.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.92 -49.38 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.79 1.236 . . . . 0.0 111.08 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.65 -32.98 74.88 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.487 -0.768 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.73 -44.12 74.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.304 0.956 . . . . 0.0 111.845 175.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.24 -44.12 92.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.275 0.63 . . . . 0.0 112.203 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.0 mtm -62.43 -39.31 92.9 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.427 -0.796 . . . . 0.0 112.021 172.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -61.12 -43.11 99.38 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 112.168 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.543 0.679 0 CA-C-N 119.204 0.911 . . . . 0.0 112.434 175.375 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -60.34 -21.38 62.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.96 1.304 . . . . 0.0 113.717 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -77.8 -6.54 54.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.301 1.44 . . . . 0.0 113.723 175.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.85 141.97 95.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 119.069 0.85 . . . . 0.0 112.492 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.62 158.23 51.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.708 2.938 . . . . 0.0 111.269 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.08 -16.9 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.59 -18.36 51.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.556 1.143 . . . . 0.0 113.689 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -99.6 -21.19 15.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.142 1.377 . . . . 0.0 112.696 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -92.57 131.99 37.23 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 111.257 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.35 137.42 55.97 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.18 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.85 -35.63 55.1 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.652 2.235 . . . . 0.0 114.601 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -85.5 -37.7 19.39 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.181 0.992 . . . . 0.0 111.229 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.87 -30.22 66.54 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.414 0.686 . . . . 0.0 112.647 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t0 55.77 37.09 28.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.551 2.34 . . . . 0.0 112.742 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -163.65 169.24 18.82 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.565 1.946 . . . . 0.0 110.498 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.46 120.31 10.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.571 1.548 . . . . 0.0 110.372 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -173.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 p 65.48 -26.12 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.131 2.972 . . . . 0.0 114.936 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.72 82.42 63.86 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.655 1.982 . . . . 0.0 110.371 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.01 135.06 22.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.873 3.049 . . . . 0.0 111.062 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.55 130.86 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.97 1.308 . . . . 0.0 110.107 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 ttp-105 -89.51 138.13 31.73 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.169 1.788 . . . . 0.0 111.356 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -100.78 162.32 21.05 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 126.06 1.744 . . . . 0.0 110.683 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.96 -22.48 55.53 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.162 2.575 . . . . 0.0 113.818 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.8 p -77.41 -0.77 27.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.319 1.447 . . . . 0.0 114.397 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.34 -3.4 85.4 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.45 1.5 . . . . 0.0 114.448 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -71.4 150.1 45.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.868 2.067 . . . . 0.0 111.006 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.3 t -128.42 126.77 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 109.76 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -130.62 166.87 19.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.799 1.64 . . . . 0.0 111.453 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.44 136.8 57.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.223 1.409 . . . . 0.0 112.685 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -52.19 -49.53 63.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.104 1.762 . . . . 0.0 113.189 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.9 m -69.64 -37.72 76.87 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.759 -0.588 . . . . 0.0 111.794 -176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.28 -44.68 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.57 -42.08 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.743 1.156 . . . . 0.0 112.407 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.8 -32.01 68.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.048 0.84 . . . . 0.0 112.442 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -66.47 -47.34 73.4 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.789 0.722 . . . . 0.0 110.815 172.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -63.02 -34.68 78.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.55 0.614 . . . . 0.0 112.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -55.54 -34.83 65.05 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.235 1.014 . . . . 0.0 113.49 172.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.41 -27.33 63.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.98 0.912 . . . . 0.0 112.73 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -78.03 -42.91 30.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.949 0.899 . . . . 0.0 111.702 174.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -167.53 154.14 7.73 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 126.564 1.946 . . . . 0.0 111.239 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.02 62.43 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.284 3.323 . . . . 0.0 110.802 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 p -145.31 158.9 43.73 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.857 1.663 . . . . 0.0 112.33 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -66.65 136.05 94.64 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 127.143 2.177 . . . . 0.0 111.261 172.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -20.1 50.73 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.783 2.989 . . . . 0.0 115.26 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -120.03 -38.46 2.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.261 0.937 . . . . 0.0 113.355 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -93.84 -23.22 18.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.304 0.641 . . . . 0.0 112.496 -174.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 63.44 15.23 8.59 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.195 2.198 . . . . 0.0 114.473 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -60.58 152.57 25.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.075 160.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 139.14 58.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.185 0.594 . . . . 0.0 111.801 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.78 135.91 13.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.804 1.241 . . . . 0.0 109.913 -167.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 p -128.75 157.57 41.06 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.757 1.623 . . . . 0.0 111.651 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.14 -24.12 62.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.657 1.583 . . . . 0.0 114.224 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -75.1 -16.49 60.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.964 1.306 . . . . 0.0 113.573 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.5 mmm -91.05 -6.42 53.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.015 1.326 . . . . 0.0 113.364 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.8 152.81 19.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.723 1.609 . . . . 0.0 112.282 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -160.27 132.85 4.46 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.254 1.422 . . . . 0.0 109.929 173.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 143.74 53.65 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.874 2.383 . . . . 0.0 111.56 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.8 t -93.52 111.63 53.17 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.141 0.976 . . . . 0.0 110.834 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.82 -35.71 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.625 2.217 . . . . 0.0 113.011 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.26 -30.72 71.21 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.99 0.814 . . . . 0.0 112.884 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -77.74 -43.79 29.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.741 0.7 . . . . 0.0 111.208 170.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.1 -40.49 97.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.174 0.897 . . . . 0.0 112.734 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.05 -33.09 73.92 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.516 1.126 . . . . 0.0 112.125 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.67 -41.91 62.04 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -58.96 -49.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -64.93 -32.44 74.15 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.85 79.73 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.683 0.674 . . . . 0.0 111.906 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -66.49 -42.72 87.01 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.354 0.661 . . . . 0.0 111.997 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.12 -38.75 83.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.278 1.031 . . . . 0.0 112.244 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -68.07 -43.63 78.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.574 1.15 . . . . 0.0 111.678 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 111.895 174.462 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -63.13 -13.96 42.9 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.117 -1.614 . . . . 0.0 113.657 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -76.87 -6.23 51.61 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.906 2.082 . . . . 0.0 114.023 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 146.06 83.67 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 121.037 -1.039 . . . . 0.0 113.333 -176.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.59 155.67 49.79 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.729 2.953 . . . . 0.0 111.108 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.83 -25.88 67.78 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.98 -18.3 62.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.452 1.101 . . . . 0.0 113.549 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -99.02 4.24 47.09 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.414 1.486 . . . . 0.0 112.853 173.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -121.65 150.64 41.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.146 0.885 . . . . 0.0 112.784 -169.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -82.71 146.67 53.47 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 123.962 0.905 . . . . 0.0 112.443 169.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.17 -28.86 1.78 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.088 2.525 . . . . 0.0 113.37 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.61 -47.9 20.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 111.043 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.9 mtt -100.07 -4.11 30.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.466 1.507 . . . . 0.0 113.599 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 67.66 11.29 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 128.226 2.611 . . . . 0.0 114.733 169.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -123.72 170.49 10.45 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.352 1.461 . . . . 0.0 112.317 -167.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.39 116.31 8.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.946 1.299 . . . . 0.0 109.413 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -74.78 -31.5 61.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -165.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 57.47 -23.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 130.221 3.408 . . . . 0.0 116.76 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -122.72 77.13 47.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 126.55 1.94 . . . . 0.0 110.701 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.19 135.94 28.18 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.681 2.921 . . . . 0.0 111.179 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -132.82 132.92 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.761 1.624 . . . . 0.0 109.826 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -89.43 139.49 30.46 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.822 1.649 . . . . 0.0 111.303 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.47 157.65 35.86 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.881 2.072 . . . . 0.0 109.79 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.07 -25.45 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.02 2.48 . . . . 0.0 113.075 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 m -77.46 -0.71 27.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.42 1.088 . . . . 0.0 113.741 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -7.97 69.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.241 1.4 . . . . 0.0 114.868 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 m -64.55 149.43 48.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.551 1.941 . . . . 0.0 110.264 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.3 t -118.87 137.81 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.976 1.311 . . . . 0.0 110.23 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 tpp -134.34 165.26 25.56 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.665 1.986 . . . . 0.0 110.54 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.47 136.35 49.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.365 1.066 . . . . 0.0 111.146 169.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -48.58 -52.33 23.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.742 1.617 . . . . 0.0 113.133 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -68.46 -38.64 81.27 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.637 -0.665 . . . . 0.0 111.688 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.0 mt -65.25 -46.27 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.111 0.964 . . . . 0.0 111.658 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.99 -47.35 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.905 1.23 . . . . 0.0 111.487 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.24 -32.94 74.31 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.406 1.003 . . . . 0.0 112.434 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -69.1 -33.29 73.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.549 0.74 . . . . 0.0 112.279 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -73.5 -41.71 62.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.168 0.895 . . . . 0.0 111.838 172.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.72 -36.44 74.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.551 1.14 . . . . 0.0 113.308 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -33.25 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.584 1.153 . . . . 0.0 112.982 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -87.78 -47.0 8.97 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.36 1.064 . . . . 0.0 113.184 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.7 m -151.14 146.37 19.04 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.74 1.616 . . . . 0.0 112.085 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.03 59.93 7.59 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.411 3.407 . . . . 0.0 111.33 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.4 p -148.22 159.67 43.73 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.561 1.944 . . . . 0.0 111.602 -172.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.65 142.45 94.0 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 125.824 1.65 . . . . 0.0 112.134 173.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -67.32 -18.86 50.26 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.059 3.173 . . . . 0.0 116.353 -174.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.76 -32.29 2.37 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.47 -28.34 18.64 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.399 1.08 . . . . 0.0 111.715 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 61.92 15.2 6.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.174 2.189 . . . . 0.0 114.478 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -61.65 152.31 31.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.976 . . . . 0.0 110.026 160.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -66.13 140.56 58.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.913 0.485 . . . . 0.0 111.196 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.83 137.77 19.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.115 1.366 . . . . 0.0 109.315 -167.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 m -129.94 151.51 50.42 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.021 1.728 . . . . 0.0 109.252 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.27 -32.19 64.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.053 0.941 . . . . 0.0 112.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -65.99 -17.11 64.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.106 1.362 . . . . 0.0 113.973 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 mmt -87.96 -9.27 54.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.522 1.129 . . . . 0.0 113.668 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 mt -82.64 151.57 26.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.029 1.332 . . . . 0.0 111.994 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -156.56 112.44 2.03 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.004 1.322 . . . . 0.0 110.27 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -57.22 137.87 83.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.954 2.436 . . . . 0.0 112.128 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.8 112.89 58.83 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.131 0.972 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.9 -37.13 0.63 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.893 2.396 . . . . 0.0 112.5 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.06 69.33 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.964 0.802 . . . . 0.0 112.933 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.62 -42.7 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.583 0.753 . . . . 0.0 111.558 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.8 -39.39 90.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.326 0.966 . . . . 0.0 112.808 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.49 -31.51 70.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.524 1.129 . . . . 0.0 112.445 174.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.49 -40.33 64.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.288 0.495 . . . . 0.0 112.237 171.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -59.0 -50.35 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.651 1.18 . . . . 0.0 111.236 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.44 -32.56 74.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.488 0.586 . . . . 0.0 112.553 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.56 -43.98 75.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.184 0.593 . . . . 0.0 111.875 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -62.97 -42.99 99.99 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.454 0.702 . . . . 0.0 112.154 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mtp -58.39 -40.16 81.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.324 1.05 . . . . 0.0 111.882 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.6 -46.14 83.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.433 0.693 . . . . 0.0 111.905 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 119.07 0.85 . . . . 0.0 112.764 177.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.8 m -59.66 -18.1 39.22 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.713 -1.242 . . . . 0.0 112.995 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.46 -6.29 49.34 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.418 1.887 . . . . 0.0 114.023 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 150.27 83.46 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.0 0.92 . . . . 0.0 113.17 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.92 156.56 62.62 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.479 2.786 . . . . 0.0 110.724 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.62 -23.88 67.29 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 113.585 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.12 -20.6 62.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.867 1.267 . . . . 0.0 114.036 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -98.98 -11.26 21.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.884 1.274 . . . . 0.0 113.223 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -99.05 138.48 36.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.437 1.095 . . . . 0.0 111.409 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -78.68 133.09 63.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.549 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -72.27 -11.44 26.82 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.907 2.405 . . . . 0.0 115.198 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 tp -79.84 -60.75 2.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.546 1.521 . . . . 0.0 110.938 171.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.29 -18.33 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 74.56 -1.64 3.03 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.097 2.559 . . . . 0.0 114.031 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 p -93.57 156.29 16.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.667 1.987 . . . . 0.0 112.226 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.61 116.7 5.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 109.152 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -69.21 -37.6 78.15 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p 64.22 -26.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 129.127 2.971 . . . . 0.0 115.363 -177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.45 78.67 20.32 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 127.256 2.223 . . . . 0.0 109.99 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.4 134.03 18.35 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.765 2.31 . . . . 0.0 110.197 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.16 128.26 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.736 1.214 . . . . 0.0 109.386 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -90.02 137.55 32.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.193 1.797 . . . . 0.0 110.822 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.45 162.49 25.82 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.638 2.375 . . . . 0.0 109.92 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -64.01 -23.03 67.91 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.451 2.767 . . . . 0.0 112.992 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p -80.01 -4.35 52.25 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.542 1.537 . . . . 0.0 113.93 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.42 -5.81 83.71 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.515 1.531 . . . . 0.0 114.296 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -65.09 150.18 48.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.08 2.152 . . . . 0.0 110.297 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.86 129.15 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.199 1.0 . . . . 0.0 110.662 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -130.19 163.68 26.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.316 1.846 . . . . 0.0 112.148 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.24 130.46 43.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.858 1.263 . . . . 0.0 111.22 169.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -43.98 -47.59 8.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.016 1.726 . . . . 0.0 113.438 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.1 m -70.53 -30.76 67.59 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.812 0.845 . . . . 0.0 112.754 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.5 mt -79.14 -43.29 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.317 -0.864 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tp -64.13 -44.66 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.846 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.74 -32.79 74.32 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.947 1.249 . . . . 0.0 112.485 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.16 -44.11 89.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.782 0.719 . . . . 0.0 110.885 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.2 -42.19 84.57 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.833 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.76 -36.3 76.36 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.07 -34.79 78.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.99 0.916 . . . . 0.0 112.126 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 -43.2 26.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.006 . . . . 0.0 113.389 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -162.77 150.15 11.2 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 126.269 1.828 . . . . 0.0 111.4 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.74 66.05 8.66 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.094 3.196 . . . . 0.0 111.328 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 p -147.41 153.03 39.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.655 1.582 . . . . 0.0 112.168 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.31 139.78 97.57 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.752 2.021 . . . . 0.0 111.792 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.25 -24.94 43.29 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.698 2.932 . . . . 0.0 114.899 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.76 -39.19 2.76 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.269 0.94 . . . . 0.0 113.43 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.02 -25.5 19.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.176 0.99 . . . . 0.0 112.388 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 69.3 10.93 8.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.319 2.248 . . . . 0.0 114.294 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -56.5 147.67 21.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.884 1.274 . . . . 0.0 110.402 161.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.06 140.15 58.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.234 0.614 . . . . 0.0 110.46 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.94 140.22 21.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.853 0.861 . . . . 0.0 111.11 -164.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.8 m -132.74 151.81 51.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.298 1.839 . . . . 0.0 109.327 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.71 -33.55 48.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.502 1.121 . . . . 0.0 113.508 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -64.61 -16.91 63.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.968 1.307 . . . . 0.0 114.504 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.2 mtt -85.43 -12.52 51.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.59 1.156 . . . . 0.0 113.133 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -84.4 151.59 24.58 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.29 1.436 . . . . 0.0 112.692 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -148.08 108.66 3.7 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.801 1.241 . . . . 0.0 110.082 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.82 121.79 10.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.251 2.634 . . . . 0.0 110.489 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.09 117.07 66.11 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 123.374 0.67 . . . . 0.0 110.99 -168.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.8 -32.57 1.07 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.056 2.504 . . . . 0.0 114.008 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -41.27 94.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.662 1.119 . . . . 0.0 111.534 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.08 -39.01 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.507 -0.746 . . . . 0.0 112.056 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -62.59 -44.86 95.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.627 1.103 . . . . 0.0 112.143 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.25 -32.6 73.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.929 1.292 . . . . 0.0 112.125 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.48 -41.61 65.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.257 0.481 . . . . 0.0 112.223 172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt -60.66 -50.0 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.583 1.153 . . . . 0.0 111.649 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.37 -32.04 73.47 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.821 0.737 . . . . 0.0 112.452 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.89 83.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.031 0.533 . . . . 0.0 111.943 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -67.16 -41.46 85.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.78 -0.575 . . . . 0.0 111.856 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.2 mtp -61.09 -42.72 99.03 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.402 -0.811 . . . . 0.0 111.503 173.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.76 -41.54 86.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 112.227 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.326 0.65 . . . . 0.0 111.905 175.637 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -58.19 -21.32 46.98 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.713 -1.242 . . . . 0.0 113.286 167.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.17 -6.17 50.08 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.042 2.137 . . . . 0.0 113.703 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 142.26 98.34 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.208 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.78 156.94 63.97 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.615 2.877 . . . . 0.0 111.249 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.7 -21.58 65.87 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.3 -15.41 60.0 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 113.753 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -94.32 -20.62 19.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.01 1.324 . . . . 0.0 112.922 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm105 -95.54 133.23 39.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 111.978 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.46 137.8 59.41 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.946 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.25 -14.02 42.41 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.215 2.61 . . . . 0.0 115.858 -172.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -79.93 -60.73 2.23 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.825 1.648 . . . . 0.0 111.148 170.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.15 -19.27 30.36 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.54 41.07 32.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.669 1.988 . . . . 0.0 113.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -145.34 162.42 37.29 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.007 1.723 . . . . 0.0 109.884 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 119.21 6.42 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.513 1.125 . . . . 0.0 110.853 -171.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -71.95 -35.62 69.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 71.48 -29.48 0.19 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.716 2.407 . . . . 0.0 113.21 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -125.68 80.34 66.65 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.413 2.285 . . . . 0.0 109.965 174.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.32 134.89 25.64 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.049 2.499 . . . . 0.0 110.067 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -131.28 137.83 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.535 1.534 . . . . 0.0 109.819 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -89.71 131.29 35.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.758 2.023 . . . . 0.0 110.143 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.02 161.26 28.87 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.901 1.68 . . . . 0.0 109.888 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.75 -21.87 50.67 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.411 2.741 . . . . 0.0 113.448 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 p -74.89 -5.81 45.74 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 1.36 74.74 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.672 1.606 . . . . 0.0 114.435 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -70.06 140.95 52.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.347 1.459 . . . . 0.0 110.36 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -103.39 137.8 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.743 1.217 . . . . 0.0 109.564 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.6 ttm -151.06 159.17 44.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.386 1.475 . . . . 0.0 111.257 -173.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -67.75 128.29 35.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.616 1.166 . . . . 0.0 110.979 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -46.25 -46.89 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.858 1.663 . . . . 0.0 113.101 173.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -69.4 -37.55 77.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 111.974 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.8 mt -73.68 -41.2 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.94 -42.28 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.426 -0.796 . . . . 0.0 112.286 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 pp -69.26 -32.05 70.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.825 1.193 . . . . 0.0 112.045 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -65.0 -46.67 80.45 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.476 0.71 . . . . 0.0 110.415 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -68.93 -34.95 76.21 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.37 -0.831 . . . . 0.0 112.518 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.4 mt -57.49 -35.21 69.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.06 0.944 . . . . 0.0 112.897 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.72 -42.55 97.89 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.174 0.99 . . . . 0.0 111.172 171.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.57 -45.22 76.21 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 113.501 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -163.73 153.08 12.32 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 126.105 1.762 . . . . 0.0 111.596 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.48 51.69 3.63 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.607 3.538 . . . . 0.0 111.679 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 p -144.81 160.58 41.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.383 1.873 . . . . 0.0 112.59 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.33 132.15 91.61 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 126.636 1.974 . . . . 0.0 111.605 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -64.82 -23.75 62.13 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.746 2.964 . . . . 0.0 115.304 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -110.34 -39.47 4.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.414 1.086 . . . . 0.0 112.577 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -102.0 -19.52 15.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.75 0.82 . . . . 0.0 112.895 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 66.84 12.27 8.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.703 2.001 . . . . 0.0 114.823 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -65.0 152.24 43.89 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.261 1.024 . . . . 0.0 110.343 166.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.72 140.11 58.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.106 0.562 . . . . 0.0 111.004 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -152.33 139.94 19.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.935 0.894 . . . . 0.0 110.248 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -134.47 152.56 51.87 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.013 1.725 . . . . 0.0 109.902 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -54.06 -32.32 54.28 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.942 1.297 . . . . 0.0 113.354 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 p -70.3 -14.57 62.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.008 1.323 . . . . 0.0 114.188 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.2 mtt -88.23 -6.79 57.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.053 1.341 . . . . 0.0 112.851 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.29 152.31 22.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.659 1.584 . . . . 0.0 112.189 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -158.99 131.77 4.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.905 1.682 . . . . 0.0 109.153 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.5 142.54 49.36 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.585 2.19 . . . . 0.0 111.283 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -89.27 112.51 51.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.388 1.075 . . . . 0.0 109.932 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.12 -38.62 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.601 2.201 . . . . 0.0 112.79 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.75 -20.69 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -92.82 -45.59 7.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.554 0.742 . . . . 0.0 111.604 170.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.63 -40.34 91.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.693 1.133 . . . . 0.0 112.672 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.87 -34.46 77.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.189 0.996 . . . . 0.0 112.559 176.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -73.04 -41.22 64.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.17 0.588 . . . . 0.0 112.245 173.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.64 -51.27 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.501 1.121 . . . . 0.0 111.268 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.92 -32.49 74.02 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.22 75.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.83 0.852 . . . . 0.0 111.804 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -64.95 -45.46 85.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.873 0.869 . . . . 0.0 112.136 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -57.75 -36.02 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.894 0.878 . . . . 0.0 112.281 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -68.56 -45.56 71.78 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.044 0.937 . . . . 0.0 111.931 174.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 123.939 0.896 . . . . 0.0 112.547 178.581 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 CA--C 1.55 0.966 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -63.35 -9.77 13.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.404 -1.435 . . . . 0.0 113.616 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.42 -8.69 59.77 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.621 1.968 . . . . 0.0 113.501 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 149.93 90.3 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.718 -1.239 . . . . 0.0 112.998 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.06 156.67 59.46 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.519 2.813 . . . . 0.0 111.187 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.56 -31.17 69.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.447 1.099 . . . . 0.0 113.273 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -92.2 -5.62 52.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.459 1.103 . . . . 0.0 112.599 172.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -115.99 136.96 52.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.363 1.065 . . . . 0.0 112.297 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.59 141.55 48.7 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.031 0.932 . . . . 0.0 112.067 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.14 -35.15 66.13 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.689 2.259 . . . . 0.0 114.537 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 tp -72.6 -53.97 10.42 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.428 0.558 . . . . 0.0 111.662 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mmm -89.37 -10.81 45.23 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.13 8.77 7.02 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.297 2.239 . . . . 0.0 114.436 172.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -137.21 172.91 12.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.276 1.43 . . . . 0.0 111.924 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.35 121.83 11.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.452 1.901 . . . . 0.0 111.093 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -71.9 -29.2 64.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 p 66.96 -28.82 0.14 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 129.123 2.969 . . . . 0.0 115.005 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -132.84 89.13 35.62 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 127.349 2.26 . . . . 0.0 109.157 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.73 135.33 14.27 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.567 2.845 . . . . 0.0 111.641 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.52 126.98 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.906 1.282 . . . . 0.0 109.81 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -89.85 136.88 32.78 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.338 1.855 . . . . 0.0 110.944 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 165.3 17.49 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 127.339 2.255 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.89 -21.77 73.37 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.067 2.511 . . . . 0.0 113.603 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.2 p -71.57 -12.41 61.35 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.682 1.193 . . . . 0.0 114.184 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.16 -3.86 85.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.55 1.548 . . . . 0.0 114.056 -172.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.5 m -75.34 148.12 39.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.185 1.394 . . . . 0.0 109.757 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.8 t -116.08 132.74 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.352 1.061 . . . . 0.0 110.356 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -126.4 165.97 18.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 111.725 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.92 129.89 41.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.282 1.433 . . . . 0.0 111.556 168.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -47.26 -53.73 12.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 113.419 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -70.61 -34.26 71.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.116 0.566 . . . . 0.0 111.455 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.72 -46.03 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.727 0.694 . . . . 0.0 110.213 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.38 -43.82 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.358 0.981 . . . . 0.0 112.244 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.32 -33.41 73.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.121 0.873 . . . . 0.0 112.004 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.17 76.94 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.321 0.964 . . . . 0.0 111.604 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.0 -33.77 74.95 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.342 0.974 . . . . 0.0 112.583 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.16 -35.36 67.1 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.82 1.248 . . . . 0.0 113.492 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -25.51 64.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.717 0.807 . . . . 0.0 112.549 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.1 -53.1 5.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.067 0.947 . . . . 0.0 111.121 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -152.35 144.29 16.49 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 125.262 1.425 . . . . 0.0 111.719 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.71 55.43 5.67 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.191 3.261 . . . . 0.0 110.571 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -145.24 160.74 41.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.189 1.396 . . . . 0.0 112.411 -168.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -64.06 135.95 96.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 125.627 1.571 . . . . 0.0 110.551 170.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.49 -13.79 30.41 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.661 2.907 . . . . 0.0 115.601 -172.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -125.17 -28.42 3.41 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -105.68 -31.55 8.85 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.606 1.562 . . . . 0.0 111.906 -175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.268 81.4 mtt-85 66.43 23.82 10.51 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.214 1.805 . . . . 0.0 114.559 166.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.96 165.59 19.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 110.293 150.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -60.79 147.72 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.022 0.929 . . . . 0.0 112.482 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -156.25 134.03 11.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.138 1.775 . . . . 0.0 109.546 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -129.54 151.41 50.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.153 1.381 . . . . 0.0 109.379 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.25 -23.09 65.4 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 p -71.62 -18.68 62.19 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.64 1.176 . . . . 0.0 113.344 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.7 mmt -91.5 -9.57 43.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 113.112 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.49 148.96 27.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.328 1.451 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -150.39 124.81 4.59 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 124.546 1.138 . . . . 0.0 110.046 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.11 119.69 6.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.728 2.285 . . . . 0.0 109.117 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.4 116.66 66.72 Favored Pre-proline 0 N--CA 1.477 0.887 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.833 -170.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.67 -33.56 1.22 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.902 2.401 . . . . 0.0 114.021 -168.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.98 -37.77 88.64 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.758 1.163 . . . . 0.0 112.048 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -41.56 56.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.03 0.932 . . . . 0.0 110.649 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.99 -43.43 98.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.208 -0.932 . . . . 0.0 112.398 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.34 -36.01 82.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.503 1.121 . . . . 0.0 111.632 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -68.89 -46.6 67.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.904 0.482 . . . . 0.0 111.22 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.28 -47.91 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.015 0.926 . . . . 0.0 112.009 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.731 0.696 . . . . 0.0 112.687 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.8 65.31 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.327 0.512 . . . . 0.0 111.538 169.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.91 -40.62 96.1 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.298 0.639 . . . . 0.0 112.635 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.7 mtm -60.14 -38.32 82.74 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.983 -1.073 . . . . 0.0 112.044 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.29 -42.32 83.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.415 0.686 . . . . 0.0 111.826 174.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 123.543 0.737 . . . . 0.0 112.225 174.264 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.4 m -58.03 -23.52 54.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.999 1.32 . . . . 0.0 113.41 170.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.89 -9.61 59.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.785 1.634 . . . . 0.0 113.533 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.4 147.88 98.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.224 -0.923 . . . . 0.0 112.014 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.29 157.22 57.49 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.389 2.726 . . . . 0.0 111.291 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.07 -19.42 65.22 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.89 -17.47 57.27 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 173.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -98.56 -16.57 19.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.661 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -97.09 131.46 43.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.756 1.222 . . . . 0.0 111.548 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.81 140.32 40.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.881 0.872 . . . . 0.0 111.279 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.08 -38.81 54.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 123.268 2.645 . . . . 0.0 114.58 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -87.64 -35.25 18.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.0 0.92 . . . . 0.0 111.498 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 ttt -66.84 -32.16 73.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.56 0.744 . . . . 0.0 112.39 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 60.68 32.29 20.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.0 2.12 . . . . 0.0 112.587 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -168.56 174.89 6.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.024 2.13 . . . . 0.0 111.154 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.31 121.5 12.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.737 1.615 . . . . 0.0 110.547 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -68.09 -37.95 81.78 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m 73.35 -34.52 0.29 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.041 2.536 . . . . 0.0 113.044 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.55 83.38 41.22 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 127.154 2.182 . . . . 0.0 109.97 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.74 135.84 20.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.146 2.564 . . . . 0.0 111.416 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.98 125.83 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.835 1.254 . . . . 0.0 109.661 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -90.46 136.36 33.11 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.703 1.201 . . . . 0.0 111.369 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.27 163.58 20.4 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 127.092 2.157 . . . . 0.0 110.64 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.59 -23.53 56.95 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.966 2.444 . . . . 0.0 113.883 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -71.22 -8.16 51.72 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 173.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.22 -5.11 83.03 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.506 1.527 . . . . 0.0 113.805 -174.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 m -68.74 147.46 51.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.412 1.885 . . . . 0.0 109.456 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.4 t -122.33 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.165 0.986 . . . . 0.0 110.068 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -123.26 163.38 20.81 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 111.923 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.77 133.81 55.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.323 1.049 . . . . 0.0 112.242 165.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -47.3 -54.69 10.36 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.621 1.568 . . . . 0.0 112.846 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -68.29 -33.64 74.71 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.522 -0.736 . . . . 0.0 111.999 -171.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -73.44 -44.21 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.109 -0.994 . . . . 0.0 111.956 175.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.78 -41.21 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 119.974 1.261 . . . . 0.0 111.545 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.93 -33.99 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.617 0.644 . . . . 0.0 112.212 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -70.68 -33.48 70.96 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.138 0.881 . . . . 0.0 112.366 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.3 -38.05 68.83 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.761 0.709 . . . . 0.0 111.861 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.66 -36.55 69.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.067 0.947 . . . . 0.0 112.85 171.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.93 -22.4 65.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.291 1.036 . . . . 0.0 113.417 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.35 -44.16 11.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.772 0.829 . . . . 0.0 112.475 173.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -164.3 155.0 13.2 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.165 1.786 . . . . 0.0 111.739 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.71 59.14 7.14 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 124.298 3.332 . . . . 0.0 111.073 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -143.01 157.26 44.71 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.772 1.629 . . . . 0.0 112.512 -171.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -66.9 134.46 94.02 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 127.661 2.384 . . . . 0.0 111.457 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -67.13 -21.81 48.16 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.25 3.3 . . . . 0.0 114.85 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -118.23 -36.0 3.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.34 0.973 . . . . 0.0 113.374 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -97.28 -28.07 14.22 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.069 0.948 . . . . 0.0 112.743 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 65.96 17.32 10.77 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.251 2.22 . . . . 0.0 114.045 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -59.13 158.95 8.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.763 0.825 . . . . 0.0 110.279 155.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.45 141.91 58.35 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.047 0.539 . . . . 0.0 111.486 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -152.4 133.28 14.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.44 1.496 . . . . 0.0 110.085 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -129.69 154.09 47.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.724 1.609 . . . . 0.0 109.651 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.03 -36.09 49.09 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.766 1.227 . . . . 0.0 113.102 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -64.35 -15.8 61.05 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 mtt -90.2 -14.3 33.73 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.319 1.448 . . . . 0.0 112.947 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.28 153.23 20.62 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.519 1.528 . . . . 0.0 112.595 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.15 119.68 2.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.593 1.157 . . . . 0.0 109.473 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.5 125.43 18.76 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.258 2.638 . . . . 0.0 110.576 170.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.6 114.94 65.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 123.346 0.658 . . . . 0.0 111.076 -168.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.0 -32.35 1.9 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.219 2.613 . . . . 0.0 113.203 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.91 -20.89 66.69 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.293 0.951 . . . . 0.0 113.344 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.83 -45.73 10.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.697 0.799 . . . . 0.0 111.527 166.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.8 -37.87 80.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.534 1.061 . . . . 0.0 113.267 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.13 -33.39 74.4 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.85 0.86 . . . . 0.0 112.724 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.65 -41.95 62.04 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.903 0.881 . . . . 0.0 111.802 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.74 -51.99 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.174 1.39 . . . . 0.0 110.806 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.19 -32.88 74.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.771 0.714 . . . . 0.0 112.271 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.28 85.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.01 0.823 . . . . 0.0 111.415 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -66.78 -46.04 76.53 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.815 0.846 . . . . 0.0 111.823 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.1 mtp -59.43 -35.59 74.29 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.0 112.333 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.53 -39.89 81.41 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.202 1.001 . . . . 0.0 112.149 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 123.674 0.789 . . . . 0.0 111.741 176.248 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.549 0.926 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -57.65 -18.53 20.94 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.254 1.422 . . . . 0.0 113.47 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.5 -6.85 43.6 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.689 1.996 . . . . 0.0 113.886 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 147.09 86.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.592 1.157 . . . . 0.0 112.886 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.67 159.02 49.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.607 2.871 . . . . 0.0 110.637 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -15.55 9.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.762 1.225 . . . . 0.0 114.107 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.32 -37.18 72.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.299 1.44 . . . . 0.0 112.011 170.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -106.71 0.75 24.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.652 1.581 . . . . 0.0 113.127 -170.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -113.52 134.7 54.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.861 1.264 . . . . 0.0 111.763 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.86 142.87 27.98 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.005 1.322 . . . . 0.0 110.66 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.63 -36.89 73.06 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.58 2.853 . . . . 0.0 114.713 -173.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 tp -95.04 -33.8 12.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -34.35 78.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.955 0.502 . . . . 0.0 111.827 170.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 66.72 21.65 10.53 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.308 1.843 . . . . 0.0 113.342 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -163.75 -178.35 5.69 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.006 2.122 . . . . 0.0 110.33 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.5 114.51 2.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.204 1.402 . . . . 0.0 110.592 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -71.04 -34.97 71.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m 74.07 -36.16 0.33 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 128.045 2.538 . . . . 0.0 112.324 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -121.16 81.83 37.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 127.157 2.183 . . . . 0.0 109.433 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.36 135.39 26.62 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.524 2.816 . . . . 0.0 110.807 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.26 130.42 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.593 1.157 . . . . 0.0 109.945 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -89.74 135.88 33.36 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.593 1.157 . . . . 0.0 111.733 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.36 165.09 35.3 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.947 2.099 . . . . 0.0 110.506 173.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.79 -22.95 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.95 2.433 . . . . 0.0 113.068 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -75.16 -3.82 35.19 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.684 1.194 . . . . 0.0 113.792 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.77 -9.74 76.18 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 126.048 1.785 . . . . 0.0 114.562 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -71.31 148.28 47.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.717 2.007 . . . . 0.0 110.567 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.6 t -110.98 130.89 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.637 1.175 . . . . 0.0 110.777 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -132.78 166.58 21.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.442 1.897 . . . . 0.0 112.278 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.57 135.17 48.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 113.1 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -57.12 -46.47 82.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.515 1.126 . . . . 0.0 113.667 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -66.26 -35.64 80.93 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.114 -0.991 . . . . 0.0 112.385 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -73.38 -43.66 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.529 1.132 . . . . 0.0 111.293 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.67 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.55 0.613 . . . . 0.0 111.102 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.26 -34.12 70.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.258 -0.901 . . . . 0.0 112.284 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.58 -38.54 91.35 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.253 0.933 . . . . 0.0 111.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -63.55 -52.62 60.32 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.784 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.17 -36.05 67.89 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tt -62.78 -38.55 91.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.286 1.434 . . . . 0.0 111.994 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.73 -44.44 27.8 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.24 1.016 . . . . 0.0 112.461 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -169.77 154.08 5.2 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.441 1.496 . . . . 0.0 112.572 -169.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.77 68.0 8.3 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.375 2.717 . . . . 0.0 111.017 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -139.29 146.73 40.71 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.286 1.434 . . . . 0.0 113.515 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.31 139.33 97.41 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.63 1.972 . . . . 0.0 111.182 169.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -68.67 -24.05 35.59 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.302 2.668 . . . . 0.0 115.378 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -123.81 -37.19 2.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.842 1.201 . . . . 0.0 113.384 -175.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -86.12 -25.73 25.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.532 0.733 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 71.38 6.01 5.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.834 2.454 . . . . 0.0 114.385 175.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -57.97 157.09 8.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.343 1.457 . . . . 0.0 111.359 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.17 136.42 55.9 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.009 0.524 . . . . 0.0 111.032 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -152.24 136.36 16.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 111.076 -167.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 m -123.83 151.95 42.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.046 1.738 . . . . 0.0 109.165 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.1 -22.78 61.37 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 p -68.51 -17.54 64.19 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.62 1.568 . . . . 0.0 113.473 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.6 mmt -89.03 -8.44 54.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.987 1.315 . . . . 0.0 112.928 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.0 155.69 21.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.063 1.345 . . . . 0.0 112.481 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -155.22 117.23 2.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.9 1.28 . . . . 0.0 110.294 171.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.16 136.5 76.83 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.6 2.867 . . . . 0.0 111.989 173.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.38 114.84 61.99 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.057 0.943 . . . . 0.0 111.017 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.47 -39.65 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.77 2.313 . . . . 0.0 112.081 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.45 -21.05 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.82 -43.1 11.48 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.429 168.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -65.45 -36.95 85.45 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.28 1.4 . . . . 0.0 113.228 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.27 -30.64 68.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.933 0.893 . . . . 0.0 112.41 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -73.05 -40.59 64.96 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.887 0.767 . . . . 0.0 112.241 170.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.46 -52.2 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 111.427 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -30.77 71.46 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.175 0.443 . . . . 0.0 112.148 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.24 66.56 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.1 0.863 . . . . 0.0 111.731 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -63.86 -43.17 96.92 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.354 -0.842 . . . . 0.0 112.355 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.8 mtp -60.86 -34.68 74.96 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.601 0.76 . . . . 0.0 112.53 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -67.54 -44.67 77.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.177 0.591 . . . . 0.0 111.817 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 118.954 0.797 . . . . 0.0 112.765 176.594 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -60.43 -17.71 46.16 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.521 -1.362 . . . . 0.0 114.004 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.297 2.639 . . . . 0.0 114.291 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 148.05 61.28 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.293 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.79 155.8 61.85 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.236 2.624 . . . . 0.0 111.8 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.5 -26.73 68.7 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.617 1.167 . . . . 0.0 113.553 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.78 -16.5 63.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -98.08 -1.49 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.395 1.478 . . . . 0.0 113.014 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -120.25 134.98 55.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 0.0 112.227 -167.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.35 134.02 49.28 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-O 118.61 -0.71 . . . . 0.0 111.045 173.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.91 -20.93 50.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.463 2.775 . . . . 0.0 115.148 -174.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.07 -47.9 19.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 120.218 1.372 . . . . 0.0 112.08 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.7 mtp -92.08 -20.12 21.61 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 56.6 52.77 9.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.946 1.698 . . . . 0.0 112.551 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -156.72 161.52 39.82 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.901 1.68 . . . . 0.0 110.828 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 120.62 12.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.087 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -71.05 -36.19 72.23 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 p 65.19 -31.7 0.14 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 129.359 3.064 . . . . 0.0 114.958 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.26 86.19 37.77 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.678 1.991 . . . . 0.0 110.047 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -71.25 134.87 25.76 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.197 2.598 . . . . 0.0 110.882 171.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.5 t -129.92 132.11 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.56 1.544 . . . . 0.0 109.461 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -89.94 140.17 29.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.956 2.102 . . . . 0.0 111.46 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 mt -98.09 160.25 28.78 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.933 2.093 . . . . 0.0 110.979 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.37 -21.88 66.38 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.269 2.646 . . . . 0.0 113.504 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.0 p -71.6 -11.25 60.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -2.59 80.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.751 1.644 . . . . 0.0 113.997 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.9 m -69.81 145.8 51.86 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.816 1.246 . . . . 0.0 110.051 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.4 t -113.02 143.21 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.981 1.313 . . . . 0.0 110.081 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.4 ttm -146.89 162.7 38.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.827 2.051 . . . . 0.0 111.14 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.5 135.76 47.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.368 1.067 . . . . 0.0 112.148 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -52.69 -51.24 61.16 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.547 1.539 . . . . 0.0 113.717 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 m -68.81 -37.63 79.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.608 -0.682 . . . . 0.0 112.517 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.95 -48.2 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.005 0.922 . . . . 0.0 111.084 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -64.24 -45.62 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 119.233 0.924 . . . . 0.0 111.628 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.21 -34.42 77.45 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.758 1.163 . . . . 0.0 112.553 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -66.96 -38.32 85.89 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.848 0.749 . . . . 0.0 111.859 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -67.0 -46.6 74.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.865 0.757 . . . . 0.0 111.142 174.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.62 -37.22 72.91 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.68 1.192 . . . . 0.0 113.347 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.43 -33.99 75.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.987 1.315 . . . . 0.0 112.601 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -79.67 -44.12 21.47 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.771 0.828 . . . . 0.0 111.321 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 p -169.91 145.15 2.4 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.773 1.629 . . . . 0.0 111.682 172.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.25 75.89 4.08 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.647 2.898 . . . . 0.0 112.316 -170.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -145.11 158.51 43.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.362 1.865 . . . . 0.0 111.537 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.18 134.28 91.47 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.618 1.167 . . . . 0.0 112.376 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -65.91 -22.24 56.17 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.506 2.804 . . . . 0.0 115.215 -174.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.1 -32.08 7.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.448 1.022 . . . . 0.0 113.151 -177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -102.99 -27.81 12.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.085 1.354 . . . . 0.0 112.871 -173.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 67.82 12.65 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.947 2.099 . . . . 0.0 114.501 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.27 157.72 37.17 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.802 0.841 . . . . 0.0 110.561 164.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -63.17 134.85 56.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.006 0.922 . . . . 0.0 111.706 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.76 120.31 5.09 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.382 1.473 . . . . 0.0 109.6 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -113.67 161.32 17.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.726 1.21 . . . . 0.0 112.154 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.87 -23.68 61.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.266 1.427 . . . . 0.0 113.872 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.0 p -70.86 -16.65 62.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.787 1.235 . . . . 0.0 113.814 174.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.6 mtt -89.11 -7.54 55.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.095 1.358 . . . . 0.0 113.377 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.6 154.67 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.377 1.471 . . . . 0.0 112.357 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -160.9 129.1 2.88 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.688 1.595 . . . . 0.0 109.681 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.52 144.96 41.37 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.677 2.252 . . . . 0.0 111.507 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.3 113.06 62.66 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 0.0 111.427 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.7 -34.64 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.237 2.625 . . . . 0.0 112.892 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.43 -23.22 66.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.417 1.008 . . . . 0.0 113.403 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.45 -41.93 11.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.336 1.054 . . . . 0.0 111.655 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.44 -35.33 80.55 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.43 1.014 . . . . 0.0 112.815 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.86 -34.71 79.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.149 1.38 . . . . 0.0 112.473 173.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.63 -40.78 63.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.135 0.574 . . . . 0.0 111.974 172.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.08 -48.8 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.256 1.022 . . . . 0.0 111.012 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -66.43 -32.2 73.42 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.31 0.959 . . . . 0.0 112.595 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.24 90.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.632 -0.668 . . . . 0.0 112.051 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -67.38 -44.05 79.89 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.376 0.67 . . . . 0.0 112.135 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.6 mtp -57.85 -35.63 71.19 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.302 1.041 . . . . 0.0 112.425 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -59.77 -45.26 92.83 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.243 -0.91 . . . . 0.0 112.207 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 123.315 0.646 . . . . 0.0 112.237 176.77 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -63.24 -6.9 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.283 -1.511 . . . . 0.0 113.514 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.12 -8.04 58.66 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.419 1.888 . . . . 0.0 113.475 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 152.73 78.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.923 1.289 . . . . 0.0 113.494 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.03 156.44 56.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.679 2.919 . . . . 0.0 111.272 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.19 -25.4 67.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.437 1.095 . . . . 0.0 113.855 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.97 -19.81 61.83 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -94.56 -0.2 54.74 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 0.0 112.881 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -119.31 143.98 47.08 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.362 1.065 . . . . 0.0 112.047 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.35 139.54 25.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 124.002 0.921 . . . . 0.0 110.773 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -37.04 54.62 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.146 2.564 . . . . 0.0 114.471 -174.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -81.93 -40.03 22.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.363 0.665 . . . . 0.0 111.072 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -68.03 -29.88 68.98 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 71.78 5.59 5.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.707 2.803 . . . . 0.0 113.266 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -151.86 179.65 8.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.605 1.562 . . . . 0.0 111.585 -169.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 118.63 7.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 111.359 -170.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -74.41 -34.59 63.31 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 p 66.69 -23.0 0.1 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 128.546 2.738 . . . . 0.0 115.463 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.39 81.05 71.34 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 126.359 1.864 . . . . 0.0 110.121 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.85 135.65 17.81 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.52 2.814 . . . . 0.0 111.996 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.7 t -123.36 129.37 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 126.168 1.787 . . . . 0.0 109.342 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -89.99 135.34 33.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.57 2.348 . . . . 0.0 110.963 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.16 163.95 20.51 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.447 2.299 . . . . 0.0 110.216 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.18 -24.14 59.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.056 2.504 . . . . 0.0 112.873 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -75.06 -6.78 51.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.903 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.91 77.98 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.847 1.689 . . . . 0.0 114.185 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -64.06 150.19 45.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.625 1.97 . . . . 0.0 110.338 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.94 132.45 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.966 0.907 . . . . 0.0 109.753 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -137.82 171.78 13.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.563 1.945 . . . . 0.0 111.544 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -70.81 136.19 48.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.255 1.022 . . . . 0.0 113.032 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -49.04 -52.24 26.47 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.602 1.961 . . . . 0.0 113.798 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -70.35 -38.46 74.81 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.434 -0.791 . . . . 0.0 111.788 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.55 -43.57 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.75 0.704 . . . . 0.0 111.292 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -64.03 -46.95 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 111.853 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.25 -36.11 80.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.382 0.992 . . . . 0.0 112.258 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.76 78.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.281 0.946 . . . . 0.0 111.704 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -70.12 -44.09 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.9 0.773 . . . . 0.0 111.664 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.95 -36.38 72.48 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.09 0.956 . . . . 0.0 113.165 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.09 -23.47 66.52 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.587 1.155 . . . . 0.0 113.951 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.14 -52.53 5.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.169 0.988 . . . . 0.0 111.005 171.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -151.06 141.34 14.5 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.859 1.664 . . . . 0.0 110.182 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.48 64.15 7.98 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.769 2.979 . . . . 0.0 111.127 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -144.33 156.27 44.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.718 1.607 . . . . 0.0 112.295 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.68 131.5 92.8 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 110.437 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.16 -19.85 56.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.501 2.801 . . . . 0.0 114.409 -172.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -120.67 -33.51 3.79 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.045 0.938 . . . . 0.0 113.258 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -96.1 -27.01 15.28 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.061 0.944 . . . . 0.0 112.956 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 66.74 16.03 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.532 2.333 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -61.75 154.82 24.51 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.582 1.153 . . . . 0.0 111.324 160.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpt -56.9 133.27 54.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.414 1.086 . . . . 0.0 110.716 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.11 114.26 4.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.895 0.878 . . . . 0.0 111.118 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.0 m -105.77 152.2 23.51 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.683 1.593 . . . . 0.0 109.705 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.31 -23.04 62.13 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 p -70.28 -17.28 63.1 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.323 1.449 . . . . 0.0 114.084 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.5 mtt -84.75 -13.79 50.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.872 1.269 . . . . 0.0 113.024 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.91 152.21 25.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.596 1.558 . . . . 0.0 111.985 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -151.24 118.3 3.31 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.789 1.236 . . . . 0.0 109.682 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.97 131.65 22.83 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.056 1.837 . . . . 0.0 109.182 174.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.51 105.25 53.97 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 123.261 0.624 . . . . 0.0 111.385 -171.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.82 -31.21 3.29 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.732 2.955 . . . . 0.0 113.563 -171.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.95 -26.29 68.76 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.345 0.975 . . . . 0.0 113.057 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.03 -44.28 16.83 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.804 -0.56 . . . . 0.0 111.483 169.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.08 -39.6 86.63 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.625 1.102 . . . . 0.0 113.004 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.04 -34.49 76.56 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.965 1.306 . . . . 0.0 112.309 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.99 -38.5 64.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.961 0.505 . . . . 0.0 112.321 172.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.97 -53.03 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.043 1.337 . . . . 0.0 111.095 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -65.69 -32.03 73.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.796 0.726 . . . . 0.0 112.357 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.3 78.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.674 0.789 . . . . 0.0 111.639 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -65.86 -42.33 90.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.68 0.792 . . . . 0.0 111.758 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mtp -60.76 -42.68 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.919 0.888 . . . . 0.0 111.578 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.08 -45.99 92.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.724 0.81 . . . . 0.0 112.001 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 123.367 0.667 . . . . 0.0 112.388 177.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -65.91 -11.21 45.38 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.495 -1.378 . . . . 0.0 112.734 170.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -76.13 -6.2 50.12 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.018 2.127 . . . . 0.0 113.978 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 140.58 87.38 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -174.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 153.87 72.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.858 3.039 . . . . 0.0 111.625 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.71 -25.19 66.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.844 1.258 . . . . 0.0 114.342 -168.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.73 -19.48 65.14 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.481 1.113 . . . . 0.0 113.984 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -101.11 -9.59 21.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.75 1.62 . . . . 0.0 113.67 173.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -85.22 146.12 27.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.661 0.785 . . . . 0.0 111.867 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -78.19 145.84 69.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 122.909 0.484 . . . . 0.0 111.704 162.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -28.02 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.229 2.62 . . . . 0.0 113.305 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.59 -50.49 9.91 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 111.204 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.6 mmm -94.69 -14.54 24.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.94 1.296 . . . . 0.0 114.451 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.5 t0 57.02 49.99 12.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.194 2.198 . . . . 0.0 113.604 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -149.41 172.56 14.74 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.987 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 121.18 11.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.09 0.956 . . . . 0.0 109.627 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -70.81 -43.05 69.44 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 m 73.31 -37.34 0.38 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.794 2.438 . . . . 0.0 113.054 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.9 79.69 8.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 127.011 2.124 . . . . 0.0 110.719 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.52 135.4 24.15 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.348 2.699 . . . . 0.0 110.826 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.6 t -134.39 128.23 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.955 1.702 . . . . 0.0 109.818 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -89.8 137.14 32.59 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.894 1.678 . . . . 0.0 111.565 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -89.48 161.75 38.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 110.66 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.8 -22.02 69.33 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.465 2.777 . . . . 0.0 113.423 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.4 p -70.42 -10.87 60.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.635 1.574 . . . . 0.0 114.519 171.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.66 -7.44 81.89 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 126.014 1.769 . . . . 0.0 114.262 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.4 m -66.81 149.33 50.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.764 1.626 . . . . 0.0 110.033 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -113.09 139.25 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.355 1.062 . . . . 0.0 110.232 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.8 tpp -135.03 167.68 20.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.298 1.839 . . . . 0.0 110.662 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.53 136.15 44.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.618 1.167 . . . . 0.0 111.871 169.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -48.27 -53.23 17.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.843 1.657 . . . . 0.0 113.032 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -69.63 -39.31 77.24 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.585 -172.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.11 -47.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.173 0.989 . . . . 0.0 111.653 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.87 -44.82 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.45 1.023 . . . . 0.0 112.053 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.91 -32.85 73.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.778 1.172 . . . . 0.0 112.361 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.11 -46.13 75.11 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.408 0.683 . . . . 0.0 110.691 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.64 -38.01 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.144 0.884 . . . . 0.0 112.24 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.7 -34.86 71.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.257 1.023 . . . . 0.0 112.652 172.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -27.58 68.57 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.363 1.065 . . . . 0.0 113.039 172.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -85.44 -47.84 9.57 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.225 1.01 . . . . 0.0 112.579 175.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 m -151.61 147.65 20.58 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.569 1.548 . . . . 0.0 110.919 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.02 54.36 5.13 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.364 3.376 . . . . 0.0 111.551 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 p -146.67 161.9 39.59 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.72 1.608 . . . . 0.0 112.433 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.26 137.76 75.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.595 1.158 . . . . 0.0 111.262 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.91 -29.56 67.27 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.645 2.896 . . . . 0.0 115.273 -175.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -112.04 -25.7 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.709 1.141 . . . . 0.0 113.928 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -101.47 -28.62 12.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.464 1.106 . . . . 0.0 112.315 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.48 20.1 10.9 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.841 2.056 . . . . 0.0 114.033 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -70.03 162.03 28.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.494 -0.754 . . . . 0.0 110.294 164.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.38 136.92 48.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.997 0.919 . . . . 0.0 110.923 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.52 142.33 18.95 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.687 1.195 . . . . 0.0 110.188 -173.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.6 m -144.28 153.77 42.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.539 1.936 . . . . 0.0 109.054 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -56.17 -32.06 63.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.277 1.031 . . . . 0.0 112.621 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -16.97 64.14 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.365 1.466 . . . . 0.0 113.896 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.5 mtt -87.55 -10.38 51.78 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.578 1.151 . . . . 0.0 113.293 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.23 153.43 24.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.219 1.408 . . . . 0.0 112.665 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -156.09 124.64 2.95 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.065 1.346 . . . . 0.0 110.095 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.83 140.27 35.0 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.247 2.631 . . . . 0.0 111.497 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.6 t -90.67 119.79 68.96 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.032 0.933 . . . . 0.0 111.268 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.02 -37.74 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.053 2.502 . . . . 0.0 112.836 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.17 -32.43 73.86 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.911 1.232 . . . . 0.0 112.554 -175.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.69 -44.98 26.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.742 0.817 . . . . 0.0 111.433 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -59.96 -42.4 94.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.644 1.111 . . . . 0.0 112.855 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.37 -35.51 81.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.962 1.305 . . . . 0.0 112.069 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.65 -40.44 66.37 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.794 -0.566 . . . . 0.0 112.389 173.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.14 -49.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.669 1.188 . . . . 0.0 111.602 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -32.61 74.34 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.686 0.675 . . . . 0.0 112.216 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.64 82.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.361 0.664 . . . . 0.0 111.564 172.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.5 -43.18 90.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.564 -0.71 . . . . 0.0 112.442 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.85 -39.65 85.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.14 0.882 . . . . 0.0 111.389 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -67.76 -39.89 84.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.699 0.8 . . . . 0.0 112.205 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 119.283 0.947 . . . . 0.0 112.686 174.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 N--CA 1.479 0.662 0 N-CA-C 114.055 0.752 . . . . 0.0 114.055 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.29 9.28 67.28 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 125.383 1.468 . . . . 0.0 115.122 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -64.29 147.83 51.6 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.022 1.329 . . . . 0.0 113.501 -173.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.68 168.93 24.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.595 1.558 . . . . 0.0 111.833 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -138.77 158.56 44.01 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.504 1.521 . . . . 0.0 111.82 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.88 142.2 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.106 1.362 . . . . 0.0 109.784 172.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.6 121.72 22.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.907 0.883 . . . . 0.0 111.954 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -95.43 28.46 2.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.649 1.179 . . . . 0.0 113.666 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -59.69 -18.9 46.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.842 1.257 . . . . 0.0 113.74 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.96 -5.96 55.1 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.941 1.697 . . . . 0.0 113.538 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 141.91 98.3 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 121.113 -0.992 . . . . 0.0 112.845 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.55 157.68 58.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 123.735 2.957 . . . . 0.0 111.453 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.74 -21.45 65.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.719 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.79 -17.09 57.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.562 1.145 . . . . 0.0 113.634 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -95.14 -20.97 18.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.02 1.328 . . . . 0.0 112.386 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -90.87 144.08 26.06 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.028 0.831 . . . . 0.0 113.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.4 153.15 79.03 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.14 1.376 . . . . 0.0 112.152 170.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.57 -32.25 0.67 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.286 2.658 . . . . 0.0 113.554 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.01 -52.03 8.78 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.027 0.83 . . . . 0.0 111.058 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.3 mmm -89.03 -11.8 43.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.549 1.54 . . . . 0.0 113.86 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 58.56 37.05 25.48 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.755 2.022 . . . . 0.0 113.423 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -142.83 172.01 13.27 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.034 1.334 . . . . 0.0 111.516 -176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.07 118.43 9.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 109.294 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -66.7 -39.58 88.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m 71.7 -35.49 0.33 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.335 2.654 . . . . 0.0 112.62 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.64 83.67 14.17 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 126.982 2.113 . . . . 0.0 110.436 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.76 135.39 23.6 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.345 2.697 . . . . 0.0 110.415 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.41 127.92 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.585 1.554 . . . . 0.0 109.277 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -89.88 137.47 32.31 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.954 1.302 . . . . 0.0 111.551 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -95.72 164.93 17.64 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 126.942 2.097 . . . . 0.0 110.804 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.5 -21.88 59.57 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.77 2.98 . . . . 0.0 113.115 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.6 p -69.82 -11.05 60.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.28 1.432 . . . . 0.0 114.095 170.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 -8.57 79.54 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.041 1.781 . . . . 0.0 113.933 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -68.18 145.86 53.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.102 1.761 . . . . 0.0 110.044 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.08 135.08 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.292 1.037 . . . . 0.0 109.334 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.5 tpp -135.96 165.4 25.75 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.829 1.652 . . . . 0.0 110.44 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.06 137.72 47.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 111.613 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -52.29 -48.84 65.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.606 1.562 . . . . 0.0 113.11 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -70.79 -39.48 73.12 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.341 -0.849 . . . . 0.0 112.553 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -64.76 -44.03 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.299 0.954 . . . . 0.0 111.903 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.93 -44.62 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.251 0.932 . . . . 0.0 111.838 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.31 -28.74 66.53 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.149 0.886 . . . . 0.0 112.942 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -68.72 -37.06 79.2 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.355 0.662 . . . . 0.0 111.369 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -72.58 -36.25 68.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 113.186 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 mt -54.93 -34.67 63.4 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.84 -31.83 73.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 113.117 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.48 -44.63 17.14 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.017 0.927 . . . . 0.0 112.421 175.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.9 p -163.07 151.48 11.89 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.928 1.291 . . . . 0.0 110.712 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.04 59.4 6.5 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.326 3.351 . . . . 0.0 111.513 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 p -149.58 163.71 37.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.221 1.408 . . . . 0.0 113.258 -168.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.05 137.78 97.21 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 126.29 1.836 . . . . 0.0 113.204 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.51 -17.77 33.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.939 3.092 . . . . 0.0 116.398 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -122.6 7.86 9.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.736 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.0 -27.4 0.13 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.767 1.227 . . . . 0.0 114.066 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.272 57.0 mtp180 61.25 28.93 18.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.952 2.101 . . . . 0.0 115.069 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.08 156.11 36.96 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.709 -0.619 . . . . 0.0 109.675 156.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.1 mmm -60.87 143.45 54.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.511 0.724 . . . . 0.0 112.5 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -155.52 136.71 13.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.709 1.604 . . . . 0.0 110.424 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.4 m -133.31 152.64 51.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.569 1.948 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.91 -29.1 62.74 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.306 1.043 . . . . 0.0 113.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p -69.98 -14.82 62.88 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.934 1.294 . . . . 0.0 113.985 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.3 mtt -90.79 -10.11 44.06 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.351 1.46 . . . . 0.0 113.281 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -86.41 150.94 23.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.793 1.637 . . . . 0.0 112.172 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -149.5 118.62 3.85 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 124.622 1.169 . . . . 0.0 110.324 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.83 139.76 89.85 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.111 3.207 . . . . 0.0 112.83 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.85 115.58 64.86 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.713 1.205 . . . . 0.0 110.271 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.6 -40.5 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.53 2.153 . . . . 0.0 112.839 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.37 -19.98 65.5 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -91.42 -45.68 8.42 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.052 0.941 . . . . 0.0 111.713 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.61 -40.12 93.7 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.568 1.076 . . . . 0.0 113.007 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.95 -31.73 70.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.173 0.989 . . . . 0.0 112.331 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.48 -41.65 62.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.627 0.649 . . . . 0.0 112.089 172.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.4 -48.51 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.736 1.214 . . . . 0.0 111.731 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.96 -32.15 73.2 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.1 76.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.547 0.739 . . . . 0.0 111.539 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -64.93 -47.9 76.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.825 0.85 . . . . 0.0 111.918 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.6 mtm -58.24 -34.27 70.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.611 0.765 . . . . 0.0 112.726 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -60.19 -44.85 94.76 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.721 0.691 . . . . 0.0 111.336 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.59 -36.83 84.9 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.489 0.716 . . . . 0.0 112.787 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -65.85 -34.49 78.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.098 -1.001 . . . . 0.0 112.371 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -76.92 -42.93 37.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.398 1.079 . . . . 0.0 112.229 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.5 p -72.38 -8.86 57.19 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -73.69 -16.13 61.21 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.324 1.05 . . . . 0.0 113.699 171.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.84 143.39 27.1 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.855 1.662 . . . . 0.0 111.487 176.916 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 CA--C 1.538 0.685 0 N-CA-C 113.606 0.579 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.85 -16.67 67.3 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 123.826 0.727 . . . . 0.0 113.597 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -76.2 112.58 12.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.266 1.026 . . . . 0.0 111.612 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.49 160.56 29.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.035 1.734 . . . . 0.0 111.442 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -141.83 155.93 45.56 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.48 1.512 . . . . 0.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.75 144.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.515 1.526 . . . . 0.0 109.018 170.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.34 97.01 6.15 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.215 0.606 . . . . 0.0 109.952 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -77.75 48.99 0.73 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.11 1.364 . . . . 0.0 113.561 -175.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -61.25 -23.56 65.74 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.659 -1.276 . . . . 0.0 113.337 175.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -84.04 -6.94 59.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.146 1.378 . . . . 0.0 114.186 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 137.18 97.03 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 119.614 1.097 . . . . 0.0 112.302 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.63 158.0 47.84 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 124.118 3.212 . . . . 0.0 111.317 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.92 -28.03 65.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 113.882 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.99 -15.56 61.54 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.4 -5.12 40.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.647 1.179 . . . . 0.0 112.776 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -103.63 154.1 19.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 112.99 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 142.54 62.89 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.177 0.591 . . . . 0.0 111.924 164.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.78 -25.78 8.83 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.42 2.746 . . . . 0.0 113.332 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.95 -52.89 8.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.77 0.828 . . . . 0.0 110.676 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 93.3 mmm -102.49 -13.33 17.27 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.78 5.89 5.29 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.793 2.437 . . . . 0.0 114.188 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.0 p -90.25 160.83 15.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.199 1.4 . . . . 0.0 111.581 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.67 112.78 6.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.613 0.765 . . . . 0.0 109.079 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -71.63 -40.03 70.01 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -166.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.285 4.7 t 55.04 -16.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 130.45 3.5 . . . . 0.0 116.967 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -117.86 73.54 9.12 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.785 2.034 . . . . 0.0 110.554 167.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.27 136.29 24.03 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.374 2.716 . . . . 0.0 110.173 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -134.39 134.49 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.807 1.643 . . . . 0.0 109.862 -174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -88.52 133.25 34.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.415 1.886 . . . . 0.0 110.379 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -98.93 157.8 33.47 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.051 2.141 . . . . 0.0 109.242 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.27 -25.2 49.94 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.045 2.496 . . . . 0.0 114.489 -166.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -77.57 0.64 22.26 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.04 4.59 68.83 Favored Glycine 0 N--CA 1.477 1.422 0 C-N-CA 125.357 1.456 . . . . 0.0 114.666 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 m -74.18 145.08 44.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.262 1.425 . . . . 0.0 109.521 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -106.39 137.41 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 109.596 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 tpp -137.68 164.16 29.52 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.329 1.852 . . . . 0.0 110.515 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.11 137.37 38.17 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.557 1.143 . . . . 0.0 111.191 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -54.33 -46.24 72.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.2 1.0 . . . . 0.0 112.897 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.37 -39.34 81.83 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.205 -0.934 . . . . 0.0 112.246 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.02 -44.39 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.439 -0.788 . . . . 0.0 111.74 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.06 -45.43 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.391 0.996 . . . . 0.0 111.518 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.37 -33.28 75.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.314 1.415 . . . . 0.0 112.592 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -64.1 -44.65 91.66 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.85 0.86 . . . . 0.0 111.042 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.56 -40.89 89.24 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.258 -0.901 . . . . 0.0 111.415 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.23 -36.17 77.12 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.441 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.31 -31.16 72.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.131 0.972 . . . . 0.0 112.444 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.65 -48.07 17.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 111.711 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 p -168.54 146.51 3.49 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.064 1.346 . . . . 0.0 111.378 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.74 64.73 8.73 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.046 3.164 . . . . 0.0 111.612 -173.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -141.23 158.05 44.42 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.47 1.508 . . . . 0.0 112.042 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.84 135.63 89.96 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 124.746 1.218 . . . . 0.0 111.571 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.98 -13.92 41.73 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.778 3.652 . . . . 0.0 115.251 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -130.64 -24.92 2.42 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -107.36 -19.64 13.52 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.39 1.076 . . . . 0.0 113.451 -173.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 64.76 11.1 6.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.041 2.136 . . . . 0.0 115.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.54 158.53 20.82 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.357 -0.839 . . . . 0.0 110.894 165.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -56.16 134.31 52.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.037 0.935 . . . . 0.0 110.743 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 131.81 10.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.095 0.958 . . . . 0.0 110.597 -173.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 61' ' ' SER . 1.3 t -148.52 177.86 9.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.947 . . . . 0.0 112.521 173.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.58 -25.97 54.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.171 1.789 . . . . 0.0 113.276 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.519 ' H ' HG23 ' A' ' 59' ' ' THR . 80.7 p -76.92 -15.22 59.74 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtt -96.84 -1.57 45.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.578 1.551 . . . . 0.0 113.025 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -90.54 152.51 20.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.894 1.678 . . . . 0.0 112.27 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -158.4 116.33 1.76 Allowed Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.428 1.491 . . . . 0.0 109.778 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -57.58 139.14 89.27 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.993 2.462 . . . . 0.0 113.242 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.35 115.59 65.0 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.732 1.213 . . . . 0.0 110.626 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.05 -35.19 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.007 2.471 . . . . 0.0 113.178 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.07 -19.47 64.88 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.11 -46.13 7.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.226 1.01 . . . . 0.0 111.693 169.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -55.86 -43.42 77.08 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.39 0.996 . . . . 0.0 112.677 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.79 -35.93 82.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.69 1.196 . . . . 0.0 112.426 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -73.42 -41.72 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.816 0.846 . . . . 0.0 112.05 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.63 -48.66 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.321 1.048 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.94 -32.49 74.02 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.66 0.663 . . . . 0.0 112.651 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.07 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.458 0.703 . . . . 0.0 111.66 173.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.98 -44.11 85.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.604 0.762 . . . . 0.0 112.113 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.81 -35.85 81.24 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.283 -0.886 . . . . 0.0 112.219 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.71 81.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.682 0.674 . . . . 0.0 112.1 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.957 0.903 . . . . 0.0 112.376 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -72.19 -35.84 69.07 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.96 -30.78 31.53 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.833 0.853 . . . . 0.0 113.027 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m 70.79 -5.89 1.37 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.568 1.947 . . . . 0.0 114.575 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -95.83 3.67 53.51 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.569 1.548 . . . . 0.0 113.681 -171.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.5 t0 81.26 163.15 0.16 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.715 2.806 . . . . 0.0 112.787 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.183 1.393 . . . . 0.0 113.821 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 CA--C 1.542 0.877 0 N-CA-C 114.887 1.072 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.13 26.63 33.38 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 124.155 0.883 . . . . 0.0 112.505 -169.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -129.48 -30.55 2.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.03 1.332 . . . . 0.0 113.64 -165.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.81 -15.75 6.85 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.064 1.346 . . . . 0.0 112.576 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -79.7 142.82 35.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.442 1.897 . . . . 0.0 111.59 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.14 154.94 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.339 1.055 . . . . 0.0 110.097 174.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.02 90.76 3.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.474 1.11 . . . . 0.0 110.991 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.65 27.87 0.17 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -173.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -61.46 -15.06 33.85 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.451 -1.406 . . . . 0.0 113.638 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.48 -5.61 56.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.223 2.209 . . . . 0.0 113.538 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 142.4 96.87 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 120.75 -1.219 . . . . 0.0 113.213 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -69.54 156.26 64.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.985 2.457 . . . . 0.0 110.665 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.72 -25.74 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.69 -16.57 62.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.596 1.158 . . . . 0.0 113.928 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -91.57 -5.86 53.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.723 1.209 . . . . 0.0 113.106 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -104.32 145.55 30.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.83 134.15 34.27 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.981 168.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.97 -11.83 32.84 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.816 2.344 . . . . 0.0 115.763 -172.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -77.43 -55.21 5.58 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.318 1.417 . . . . 0.0 110.568 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.0 mmt -91.45 -13.59 32.02 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 66.7 15.26 10.08 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.014 2.126 . . . . 0.0 114.085 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -134.77 167.85 20.1 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.113 1.765 . . . . 0.0 111.703 -173.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.59 121.9 12.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.26 1.824 . . . . 0.0 111.463 -170.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -78.25 -38.96 41.65 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 p 67.36 -27.73 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 128.965 2.906 . . . . 0.0 115.03 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.71 80.53 40.28 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.193 1.797 . . . . 0.0 110.648 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.41 135.52 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.445 2.763 . . . . 0.0 111.043 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.81 134.04 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.33 1.852 . . . . 0.0 109.221 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.52 133.94 34.71 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.36 1.064 . . . . 0.0 110.715 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -82.94 163.71 49.83 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.01 1.724 . . . . 0.0 110.183 169.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.48 -21.96 59.61 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.375 2.716 . . . . 0.0 113.409 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 p -69.33 -12.15 61.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.839 1.656 . . . . 0.0 114.224 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.17 -6.61 82.5 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.021 1.772 . . . . 0.0 114.133 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -65.11 134.7 54.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.303 1.441 . . . . 0.0 110.499 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.56 137.54 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.455 1.102 . . . . 0.0 109.834 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.6 ttm -148.06 161.13 42.02 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.697 1.599 . . . . 0.0 110.876 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.3 134.48 46.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.726 . . . . 0.0 112.429 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -49.86 -54.75 17.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.039 1.736 . . . . 0.0 113.168 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.8 m -68.71 -36.23 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.311 0.645 . . . . 0.0 112.061 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.7 mt -70.14 -45.22 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.96 -1.087 . . . . 0.0 111.375 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -65.44 -41.07 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 120.222 1.374 . . . . 0.0 112.612 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.44 -32.73 71.85 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.68 1.127 . . . . 0.0 112.486 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -70.62 -34.54 72.21 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.6 0.636 . . . . 0.0 111.552 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -72.18 -39.43 68.66 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.735 0.698 . . . . 0.0 112.043 173.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.33 -36.61 68.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.588 1.155 . . . . 0.0 113.176 172.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.91 -30.25 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.197 0.999 . . . . 0.0 112.343 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.47 -50.77 7.45 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.423 1.089 . . . . 0.0 112.089 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.24 147.41 19.6 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.58 1.552 . . . . 0.0 111.909 -170.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -81.16 50.52 3.58 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.266 3.311 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -145.39 164.45 31.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.964 1.705 . . . . 0.0 112.593 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.27 132.84 87.71 Favored Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.147 2.179 . . . . 0.0 111.635 173.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -65.94 -18.71 57.78 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.604 3.536 . . . . 0.0 115.31 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -114.26 -43.42 3.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.481 1.112 . . . . 0.0 112.273 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -99.13 -22.67 15.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 -169.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 69.54 7.85 6.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 127.463 2.305 . . . . 0.0 114.585 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -58.8 151.93 20.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.755 1.222 . . . . 0.0 110.529 162.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.07 144.18 54.05 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.813 -0.555 . . . . 0.0 112.063 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.72 138.23 15.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.435 1.494 . . . . 0.0 110.341 -170.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.0 m -130.13 151.34 50.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.477 1.511 . . . . 0.0 110.163 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -40.83 64.24 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.158 1.383 . . . . 0.0 112.822 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -66.93 -13.12 61.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.863 1.265 . . . . 0.0 114.162 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mtt -91.97 -8.87 44.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.136 1.374 . . . . 0.0 112.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.81 150.25 24.68 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.231 1.412 . . . . 0.0 112.143 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -153.99 124.36 3.4 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.716 1.206 . . . . 0.0 110.808 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -56.25 141.54 88.3 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.75 2.966 . . . . 0.0 113.186 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 t -96.51 109.45 48.03 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.555 1.142 . . . . 0.0 110.643 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.49 -35.4 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.397 2.065 . . . . 0.0 112.435 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.63 -17.93 64.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt -94.79 -42.97 8.45 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.211 1.004 . . . . 0.0 111.685 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.78 -40.85 94.13 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.362 0.983 . . . . 0.0 112.409 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.39 -34.83 79.22 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.504 1.121 . . . . 0.0 112.132 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -73.34 -40.22 64.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.132 0.573 . . . . 0.0 112.328 174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mt -59.82 -51.25 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.061 0.944 . . . . 0.0 110.903 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.31 -32.25 73.55 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.45 79.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.406 0.682 . . . . 0.0 111.662 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -62.45 -46.9 86.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.367 0.667 . . . . 0.0 112.055 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.7 mtp -58.75 -40.0 82.57 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.84 0.746 . . . . 0.0 112.132 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.13 -39.38 89.81 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.526 0.73 . . . . 0.0 112.303 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.99 -40.9 87.49 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.969 0.804 . . . . 0.0 112.01 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -66.16 -29.35 69.63 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -62.8 -26.39 68.71 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.089 0.859 . . . . 0.0 112.465 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.5 m -73.68 -9.81 59.05 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.859 -1.15 . . . . 0.0 113.98 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -81.01 -7.34 59.53 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 120.719 -1.238 . . . . 0.0 113.043 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.83 156.6 29.16 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.994 1.718 . . . . 0.0 112.119 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.962 1.705 . . . . 0.0 111.485 179.142 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 113.7 0.615 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.42 -10.06 59.7 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 124.857 1.218 . . . . 0.0 113.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 m -140.34 159.13 42.87 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.072 1.749 . . . . 0.0 110.508 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.91 170.91 21.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.964 1.306 . . . . 0.0 112.231 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -158.84 163.7 36.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.311 1.844 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.21 145.15 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.264 1.025 . . . . 0.0 110.958 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -78.1 64.86 3.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.338 1.455 . . . . 0.0 113.028 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -70.49 -0.85 9.24 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -60.37 -17.76 45.73 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.621 -1.3 . . . . 0.0 112.464 164.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.94 -8.62 54.38 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.34 1.856 . . . . 0.0 113.904 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 153.0 90.22 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 124.699 1.199 . . . . 0.0 113.063 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -67.54 157.65 60.79 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.803 3.002 . . . . 0.0 111.276 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.62 -24.26 65.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.06 -16.54 61.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.829 1.252 . . . . 0.0 114.131 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -97.28 -19.61 18.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.632 1.573 . . . . 0.0 112.592 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -99.92 127.68 46.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.188 0.995 . . . . 0.0 111.73 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.03 135.2 58.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.592 0.757 . . . . 0.0 110.182 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -73.65 -14.02 24.63 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.654 2.236 . . . . 0.0 115.653 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -91.65 -39.0 12.1 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.066 1.303 . . . . 0.0 110.867 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.3 ttt -67.46 -32.73 73.78 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.203 1.001 . . . . 0.0 113.247 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 73.78 -2.87 2.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.753 2.821 . . . . 0.0 113.751 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -144.83 -177.2 5.4 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.115 1.766 . . . . 0.0 110.966 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.16 122.69 14.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.294 1.437 . . . . 0.0 111.833 -172.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.43 -33.33 74.94 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 m 72.23 -42.27 0.53 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.913 2.485 . . . . 0.0 112.346 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.38 86.4 33.48 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.207 2.203 . . . . 0.0 110.519 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -73.16 135.85 23.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.829 3.02 . . . . 0.0 112.126 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.57 129.1 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.115 1.366 . . . . 0.0 110.089 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -89.39 140.61 29.34 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.801 1.64 . . . . 0.0 111.859 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.04 158.26 32.11 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.649 2.38 . . . . 0.0 109.552 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.03 -21.55 56.26 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.796 2.997 . . . . 0.0 113.307 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.0 p -68.86 -11.27 60.35 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.332 1.453 . . . . 0.0 114.567 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.2 74.11 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.363 1.459 . . . . 0.0 113.737 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -72.21 147.79 46.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.694 1.197 . . . . 0.0 109.74 173.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -119.04 133.63 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.716 1.206 . . . . 0.0 109.456 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 tpp -125.16 162.61 24.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.737 2.015 . . . . 0.0 111.758 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.42 133.0 50.37 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 163.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -52.08 -50.19 62.05 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.378 1.471 . . . . 0.0 113.716 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -69.37 -38.55 78.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.525 -0.734 . . . . 0.0 111.776 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.25 -44.37 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.026 -1.046 . . . . 0.0 111.311 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.69 -45.29 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.537 1.062 . . . . 0.0 111.387 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.85 -35.52 78.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.2 0.909 . . . . 0.0 112.158 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -35.53 80.19 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.728 0.695 . . . . 0.0 112.165 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -69.06 -46.15 68.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.921 0.782 . . . . 0.0 111.256 173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.94 -34.82 68.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.106 1.362 . . . . 0.0 113.285 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -33.22 66.78 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 113.129 172.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -89.59 -52.17 5.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.261 1.025 . . . . 0.0 112.164 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -149.29 139.98 13.82 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.61 1.564 . . . . 0.0 110.831 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.85 71.84 6.4 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.539 2.826 . . . . 0.0 110.705 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -143.77 156.44 44.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.556 1.542 . . . . 0.0 112.459 -173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -68.15 129.95 92.75 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.21 1.004 . . . . 0.0 110.75 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.57 -18.39 59.12 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.226 2.617 . . . . 0.0 115.194 -171.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -116.23 -36.66 3.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.479 1.112 . . . . 0.0 113.139 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -96.92 -24.8 15.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.724 1.21 . . . . 0.0 112.887 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 64.73 17.47 10.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.957 2.103 . . . . 0.0 114.354 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -63.95 163.11 12.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.563 0.745 . . . . 0.0 110.228 158.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.8 ttp -63.6 142.77 58.27 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.363 0.529 . . . . 0.0 111.311 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.87 112.87 3.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.461 1.505 . . . . 0.0 109.9 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 m -102.88 150.72 23.23 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.291 1.436 . . . . 0.0 110.503 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.24 -28.17 64.64 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.259 1.024 . . . . 0.0 113.572 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 -16.7 64.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.963 1.305 . . . . 0.0 113.564 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.1 mmt -91.05 -5.98 54.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.689 1.195 . . . . 0.0 113.526 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -81.86 149.82 28.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.075 1.35 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -156.01 118.0 2.27 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.741 1.216 . . . . 0.0 110.852 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -57.02 139.14 89.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.823 3.015 . . . . 0.0 112.32 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 69' ' ' LEU . 30.0 t -95.48 111.96 57.21 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.333 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -38.46 0.91 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.613 2.209 . . . . 0.0 112.153 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.08 -21.99 65.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' H ' HG12 ' A' ' 66' ' ' VAL . 72.7 mt -89.19 -45.87 9.23 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.799 0.84 . . . . 0.0 111.149 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -56.63 -43.78 80.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.081 1.31 . . . . 0.0 112.692 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.15 -32.83 73.37 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.196 0.998 . . . . 0.0 112.868 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -73.43 -41.54 63.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.997 0.519 . . . . 0.0 112.031 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -60.93 -50.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.094 1.358 . . . . 0.0 111.444 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.13 -32.02 73.44 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.65 68.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.66 0.784 . . . . 0.0 111.265 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.34 -43.03 98.91 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.734 -0.604 . . . . 0.0 111.909 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mtp -59.64 -41.12 89.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.72 0.808 . . . . 0.0 112.244 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -59.82 -47.07 87.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.524 0.602 . . . . 0.0 111.629 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.12 -36.29 81.3 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.124 0.875 . . . . 0.0 112.603 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -72.04 -35.22 69.28 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.172 -0.955 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -83.2 -42.09 17.67 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.495 1.118 . . . . 0.0 112.155 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.6 m -89.08 24.85 1.99 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.906 1.282 . . . . 0.0 113.458 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 p -75.85 -17.07 59.96 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.197 1.399 . . . . 0.0 114.116 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.56 135.76 42.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.062 1.345 . . . . 0.0 112.329 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.823 1.649 . . . . 0.0 111.339 -177.123 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo . . . . . 0 CA--C 1.541 0.855 0 N-CA-C 113.608 0.58 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.05 2.97 68.3 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.698 1.142 . . . . 0.0 113.657 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -76.16 -16.84 59.79 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.924 1.289 . . . . 0.0 114.252 -172.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.4 157.53 30.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.474 1.91 . . . . 0.0 110.935 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -85.48 155.94 21.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.19 0.996 . . . . 0.0 111.833 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.02 142.3 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.085 0.954 . . . . 0.0 109.849 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -83.29 99.29 9.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.479 1.112 . . . . 0.0 110.402 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -77.31 43.31 0.37 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.116 1.766 . . . . 0.0 114.976 -168.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 m -59.18 -23.34 62.16 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.843 -1.161 . . . . 0.0 113.763 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.24 -3.4 52.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.183 1.793 . . . . 0.0 114.059 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 144.2 97.57 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.018 -1.051 . . . . 0.0 112.716 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.49 155.23 55.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.516 2.811 . . . . 0.0 110.42 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.7 -24.73 67.81 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.78 -18.12 62.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.313 1.045 . . . . 0.0 113.814 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -96.92 -3.38 41.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.574 1.15 . . . . 0.0 113.205 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.35 143.59 35.42 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.266 1.026 . . . . 0.0 111.705 -172.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.06 134.81 23.27 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.284 1.034 . . . . 0.0 110.194 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -72.49 -14.17 27.71 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.451 2.767 . . . . 0.0 115.54 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.6 tm? -83.78 -45.78 12.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.943 1.247 . . . . 0.0 109.134 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.4 ttt -66.54 -33.61 76.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.963 1.305 . . . . 0.0 113.831 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 74.84 2.98 4.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.579 2.751 . . . . 0.0 113.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -151.66 -177.36 6.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.65 1.98 . . . . 0.0 111.025 -174.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.58 8.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.097 1.759 . . . . 0.0 111.185 -173.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -68.77 -35.0 76.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 75.39 -40.78 0.43 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.685 2.394 . . . . 0.0 112.155 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -119.71 84.57 31.25 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.921 2.088 . . . . 0.0 110.595 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.56 134.57 24.53 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.874 2.383 . . . . 0.0 111.341 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.92 130.69 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.805 1.642 . . . . 0.0 109.682 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.78 140.84 29.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.254 1.022 . . . . 0.0 111.693 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.73 162.87 32.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.996 2.118 . . . . 0.0 111.147 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.68 -22.6 69.95 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.307 2.671 . . . . 0.0 113.077 174.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 p -72.6 -8.68 56.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.031 1.333 . . . . 0.0 114.029 172.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.47 -9.5 77.08 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.004 1.764 . . . . 0.0 113.875 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.5 m -68.42 144.34 54.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.005 1.722 . . . . 0.0 110.635 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -102.48 140.96 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.707 1.203 . . . . 0.0 109.84 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.3 ttm -144.18 162.86 35.25 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.266 1.827 . . . . 0.0 111.354 -175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.41 131.79 45.33 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.345 0.658 . . . . 0.0 112.092 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -49.25 -55.67 11.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.261 1.824 . . . . 0.0 113.167 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -68.48 -36.26 78.71 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.252 -0.905 . . . . 0.0 112.324 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.97 -42.64 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.153 0.981 . . . . 0.0 111.858 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.1 -43.67 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 120.432 1.469 . . . . 0.0 112.26 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.5 -33.32 73.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.506 1.048 . . . . 0.0 112.277 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -64.95 -43.29 93.19 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.842 0.857 . . . . 0.0 110.639 172.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -68.4 -41.35 80.59 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.587 -0.696 . . . . 0.0 111.946 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.49 -35.87 72.89 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.583 1.153 . . . . 0.0 113.388 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.39 -26.28 68.39 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.974 0.909 . . . . 0.0 112.753 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.65 -48.23 7.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.602 1.161 . . . . 0.0 112.418 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -151.55 145.08 17.52 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.514 1.526 . . . . 0.0 111.509 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.39 57.11 6.32 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.249 3.299 . . . . 0.0 111.368 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 p -147.7 162.47 39.1 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.839 1.656 . . . . 0.0 112.443 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.78 135.11 85.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.203 1.801 . . . . 0.0 112.064 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.59 -23.36 64.04 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.634 2.89 . . . . 0.0 115.764 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 19' ' ' LEU . 91.1 m-85 -105.33 -42.92 5.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.696 1.199 . . . . 0.0 112.598 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -103.37 -24.26 13.5 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 113.271 -170.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 68.79 15.42 8.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.429 1.892 . . . . 0.0 114.38 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.32 158.83 34.27 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.316 0.646 . . . . 0.0 110.9 161.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -64.0 142.29 58.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.914 0.886 . . . . 0.0 112.591 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.5 140.88 17.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.667 1.587 . . . . 0.0 108.936 -172.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.6 p -134.03 152.3 51.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.537 1.135 . . . . 0.0 112.505 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.56 -28.82 65.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 113.93 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.65 -18.19 63.56 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.868 1.267 . . . . 0.0 113.462 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.8 mmt -98.95 -3.33 35.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.385 1.474 . . . . 0.0 113.538 -175.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.58 149.21 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.11 1.364 . . . . 0.0 111.903 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -157.84 131.45 4.8 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.495 1.518 . . . . 0.0 110.153 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.17 140.97 42.39 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.813 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.39 114.83 62.49 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 123.794 0.837 . . . . 0.0 110.953 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.35 -38.65 0.7 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.804 2.336 . . . . 0.0 113.095 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.19 -20.56 64.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.78 -45.59 8.33 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.394 1.078 . . . . 0.0 111.22 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -61.29 -37.81 84.55 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.764 1.165 . . . . 0.0 112.832 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.21 -34.94 77.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.685 1.194 . . . . 0.0 112.348 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -72.95 -40.24 65.52 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.488 -0.758 . . . . 0.0 111.744 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.57 -49.84 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.61 1.564 . . . . 0.0 111.536 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -31.61 72.29 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.696 0.68 . . . . 0.0 112.519 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.88 76.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.543 0.737 . . . . 0.0 111.846 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.63 -45.51 82.78 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.314 0.646 . . . . 0.0 112.317 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.2 mtm -58.73 -35.6 72.96 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.364 -0.835 . . . . 0.0 112.571 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -61.98 -38.31 88.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.608 0.763 . . . . 0.0 111.918 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.89 -28.62 68.47 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.796 0.725 . . . . 0.0 112.608 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -78.55 -34.17 47.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.7 -29.75 45.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.346 1.058 . . . . 0.0 112.056 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 t -60.07 141.55 55.57 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.717 0.807 . . . . 0.0 112.092 170.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.5 m 70.11 -26.3 0.16 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 127.648 2.379 . . . . 0.0 114.24 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.0 -48.4 36.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.755 1.222 . . . . 0.0 111.186 168.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 124.917 1.287 . . . . 0.0 111.573 171.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 114.224 0.817 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.4 -13.53 57.04 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.22 0.914 . . . . 0.0 114.003 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -95.73 -47.75 6.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.336 1.454 . . . . 0.0 112.243 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.6 -11.43 59.65 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.033 1.333 . . . . 0.0 114.492 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -138.52 148.62 44.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.215 1.406 . . . . 0.0 110.287 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mp -87.21 142.68 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.684 1.193 . . . . 0.0 109.15 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.13 107.44 13.93 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.447 0.642 . . . . 0.0 111.694 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -95.23 7.13 47.12 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.394 1.078 . . . . 0.0 113.568 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -64.87 -17.02 63.93 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.374 -1.454 . . . . 0.0 112.897 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.39 -8.49 54.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.37 1.868 . . . . 0.0 113.612 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 147.62 78.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 124.47 1.108 . . . . 0.0 113.044 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.16 157.33 57.7 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.954 3.103 . . . . 0.0 111.138 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -57.84 -28.74 64.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.545 1.138 . . . . 0.0 113.595 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.13 -16.8 61.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.605 1.162 . . . . 0.0 114.044 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -98.53 -5.22 32.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.613 1.165 . . . . 0.0 112.889 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -108.04 148.28 29.98 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.925 0.89 . . . . 0.0 112.9 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.2 162.28 64.73 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.682 173.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -91.92 -3.55 4.05 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.199 3.266 . . . . 0.0 116.176 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 tp -132.9 -53.04 0.92 Allowed 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 120.487 1.494 . . . . 0.0 113.566 -167.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.12 -25.46 62.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.606 1.563 . . . . 0.0 111.999 168.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 t0 59.38 55.46 4.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.973 2.509 . . . . 0.0 113.294 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 t -150.23 -178.43 6.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.956 1.702 . . . . 0.0 109.867 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.07 121.6 13.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.646 1.178 . . . . 0.0 109.437 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -72.56 -35.5 68.0 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 m 71.5 -31.7 0.23 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.016 2.527 . . . . 0.0 113.496 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -127.26 81.89 69.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 127.393 2.277 . . . . 0.0 110.188 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.17 136.07 26.17 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.186 2.59 . . . . 0.0 111.296 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -127.61 136.17 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.339 1.456 . . . . 0.0 110.45 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -88.18 125.84 34.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.475 2.31 . . . . 0.0 109.707 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -90.96 161.35 35.76 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.638 1.575 . . . . 0.0 109.747 168.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.14 -22.09 67.51 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 123.105 2.537 . . . . 0.0 114.044 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -73.7 -9.06 58.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.293 1.437 . . . . 0.0 114.21 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.89 1.4 79.96 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.781 1.658 . . . . 0.0 113.72 -172.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.6 m -69.12 140.07 54.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.928 1.291 . . . . 0.0 109.949 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.75 135.82 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.526 1.13 . . . . 0.0 109.514 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.2 ttm -142.25 160.9 39.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.061 1.744 . . . . 0.0 111.631 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -74.49 127.81 33.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.107 1.363 . . . . 0.0 110.746 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -48.61 -43.47 36.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 112.778 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -69.04 -31.17 69.76 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.471 -0.768 . . . . 0.0 112.352 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.59 -43.8 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.341 -0.849 . . . . 0.0 110.427 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.34 -40.38 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.796 0.725 . . . . 0.0 112.003 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.61 -37.25 79.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.395 0.998 . . . . 0.0 112.189 175.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -59.27 -42.87 92.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.352 0.661 . . . . 0.0 110.428 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -71.84 -41.66 67.88 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.72 -36.68 72.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.424 1.09 . . . . 0.0 112.989 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.06 -20.99 65.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.312 1.045 . . . . 0.0 113.316 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.17 -47.84 6.75 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.702 1.201 . . . . 0.0 112.115 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -154.69 150.75 22.18 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.534 1.534 . . . . 0.0 112.094 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.25 56.99 6.26 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.197 3.265 . . . . 0.0 111.512 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 p -140.68 158.42 44.0 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.158 1.783 . . . . 0.0 112.384 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.58 133.37 86.86 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.682 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.42 -20.17 54.79 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.619 2.879 . . . . 0.0 115.533 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -122.56 -34.07 3.31 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 113.212 -172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -95.81 -25.25 16.11 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.626 1.17 . . . . 0.0 112.744 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 65.13 16.63 10.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.021 2.128 . . . . 0.0 113.667 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.51 162.89 14.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.418 0.687 . . . . 0.0 110.637 159.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ttt -63.83 141.61 58.71 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.716 -0.615 . . . . 0.0 110.95 166.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -153.29 132.21 12.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.721 1.609 . . . . 0.0 109.428 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -127.14 152.93 46.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.204 1.402 . . . . 0.0 108.995 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.47 -22.85 35.09 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -64.66 -21.46 66.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.118 1.367 . . . . 0.0 113.871 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -91.76 -5.83 52.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.106 1.362 . . . . 0.0 112.683 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.73 153.91 20.34 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.925 1.29 . . . . 0.0 112.172 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.81 131.97 5.46 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.744 1.617 . . . . 0.0 109.1 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.85 142.68 39.63 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.134 2.556 . . . . 0.0 110.986 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.97 110.65 47.24 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 124.155 0.982 . . . . 0.0 110.719 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 -34.93 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.58 -44.44 8.21 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.982 0.913 . . . . 0.0 111.329 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -60.23 -37.88 81.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.441 1.019 . . . . 0.0 112.643 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.07 -35.25 79.41 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.427 1.091 . . . . 0.0 112.362 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.97 -42.19 63.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.109 0.564 . . . . 0.0 111.603 173.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.0 mt -60.58 -49.31 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.45 -33.01 74.94 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.031 0.832 . . . . 0.0 112.343 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.9 79.48 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.267 0.627 . . . . 0.0 111.494 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -65.59 -44.38 86.83 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.524 -0.735 . . . . 0.0 111.858 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.32 -43.25 99.18 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.645 0.778 . . . . 0.0 111.629 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -56.59 -47.65 79.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.867 0.758 . . . . 0.0 111.346 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.03 -43.72 94.72 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -58.9 -38.07 78.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 112.277 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -39.54 33.81 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.428 1.091 . . . . 0.0 112.773 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -75.33 -25.25 57.65 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.101 1.318 . . . . 0.0 113.488 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.7 m -79.93 -7.79 58.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.827 1.251 . . . . 0.0 113.988 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.98 144.12 54.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.507 1.123 . . . . 0.0 112.569 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.255 1.343 0 C-N-CA 126.25 1.82 . . . . 0.0 111.564 -179.221 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 CA--C 1.54 0.825 0 N-CA-C 114.135 0.783 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.22 -0.83 87.24 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 124.791 1.186 . . . . 0.0 114.77 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -69.12 -13.85 62.66 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.504 1.522 . . . . 0.0 114.169 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.54 157.01 43.24 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.135 1.774 . . . . 0.0 111.451 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -165.33 162.55 19.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.988 1.715 . . . . 0.0 111.851 -174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -83.6 137.84 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.533 1.133 . . . . 0.0 109.182 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -78.46 124.35 28.03 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.987 0.915 . . . . 0.0 111.407 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -105.8 22.88 14.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -61.46 -17.31 53.87 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.354 -1.466 . . . . 0.0 112.987 171.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -75.3 -9.03 58.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.021 1.728 . . . . 0.0 113.724 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.07 142.55 98.22 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.825 0.85 . . . . 0.0 112.327 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -70.94 157.12 58.94 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.711 2.941 . . . . 0.0 111.585 177.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.42 -26.11 66.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.568 1.147 . . . . 0.0 114.016 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.45 -15.79 62.35 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.44 1.096 . . . . 0.0 113.945 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -100.52 -0.55 37.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.161 1.384 . . . . 0.0 112.518 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -116.01 145.8 42.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.013 1.325 . . . . 0.0 112.166 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -95.28 135.06 23.61 Favored Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 123.862 0.865 . . . . 0.0 110.931 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.92 -11.35 29.21 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.544 2.163 . . . . 0.0 115.497 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.21 -58.93 2.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.874 1.67 . . . . 0.0 109.915 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.4 mmt -85.55 -16.67 38.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.88 24.88 14.79 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 113.622 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -140.84 169.99 16.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.76 1.624 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 120.14 10.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.543 1.537 . . . . 0.0 111.013 -170.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -77.54 -27.46 51.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -171.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.5 p 57.18 -20.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.229 3.412 . . . . 0.0 117.294 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -128.62 77.19 77.8 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.339 2.255 . . . . 0.0 109.733 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.79 135.0 27.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.264 2.643 . . . . 0.0 110.374 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -131.34 133.82 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.142 1.777 . . . . 0.0 109.796 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -88.8 133.57 34.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.0 mt -94.02 160.31 32.56 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.755 2.022 . . . . 0.0 110.345 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.4 -21.55 60.67 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.215 2.61 . . . . 0.0 113.514 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -70.04 -10.48 58.83 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.994 1.317 . . . . 0.0 114.286 170.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.42 -6.23 82.39 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.9 1.714 . . . . 0.0 113.628 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -68.84 143.9 54.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.714 1.606 . . . . 0.0 110.103 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.5 137.31 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.451 1.101 . . . . 0.0 109.742 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 tpp -133.74 157.62 45.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.016 2.126 . . . . 0.0 110.453 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -71.3 125.44 26.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 110.078 167.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -43.57 -50.79 7.16 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.785 1.634 . . . . 0.0 113.236 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -70.29 -30.35 67.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 -173.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.27 -41.45 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.799 0.839 . . . . 0.0 110.664 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.12 -44.19 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.488 1.04 . . . . 0.0 111.953 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.5 -31.61 72.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.677 1.126 . . . . 0.0 112.699 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -68.11 -33.52 74.67 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.324 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -75.77 -43.05 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.477 -0.764 . . . . 0.0 111.779 172.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.87 -35.89 73.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.518 1.127 . . . . 0.0 113.353 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.3 tp -55.69 -32.49 63.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 112.994 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.47 -50.46 5.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.391 1.077 . . . . 0.0 112.231 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -151.11 147.78 21.32 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.973 1.309 . . . . 0.0 112.046 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -80.51 59.63 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.043 3.162 . . . . 0.0 111.039 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -141.26 153.32 45.16 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.595 1.158 . . . . 0.0 113.68 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 140.16 94.48 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 125.269 1.428 . . . . 0.0 111.742 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.32 -18.56 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.663 2.909 . . . . 0.0 116.268 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -121.42 -23.47 5.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -174.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -120.92 -24.68 5.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 0.0 112.933 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 67.05 22.61 9.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.049 1.74 . . . . 0.0 113.645 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.75 166.92 6.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.187 0.595 . . . . 0.0 110.541 159.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tpt -58.18 137.86 56.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.282 1.033 . . . . 0.0 111.526 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 139.61 15.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 109.657 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 m -140.81 153.06 45.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.191 1.396 . . . . 0.0 109.815 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.83 -23.14 60.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 p -74.11 -15.28 61.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.087 1.355 . . . . 0.0 113.837 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.6 mtt -86.37 -10.35 54.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.184 1.394 . . . . 0.0 113.314 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.33 151.91 23.67 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.898 1.679 . . . . 0.0 112.549 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -155.88 123.27 2.76 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.114 1.366 . . . . 0.0 110.169 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.2 139.46 90.08 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.825 3.017 . . . . 0.0 113.133 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -90.99 113.58 58.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.769 1.227 . . . . 0.0 110.332 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -76.28 -39.53 0.81 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.622 2.215 . . . . 0.0 112.28 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.98 -20.27 65.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -92.06 -45.27 8.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.939 0.896 . . . . 0.0 111.53 170.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.15 -40.03 94.61 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.717 1.144 . . . . 0.0 112.48 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -67.29 -32.1 72.86 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.393 1.077 . . . . 0.0 112.536 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -73.01 -41.77 63.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.651 0.659 . . . . 0.0 112.532 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.75 -46.87 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.684 1.193 . . . . 0.0 111.947 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.64 -32.68 74.38 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.95 71.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.612 0.765 . . . . 0.0 111.7 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -64.88 -47.04 79.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.033 0.933 . . . . 0.0 112.22 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.0 mtm -58.8 -40.18 83.33 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.982 0.81 . . . . 0.0 111.662 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -64.59 -41.92 95.92 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.126 0.57 . . . . 0.0 112.009 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.55 -36.38 83.59 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.929 0.786 . . . . 0.0 112.663 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -71.0 -28.94 64.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.107 -0.995 . . . . 0.0 112.845 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -82.7 -32.91 27.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.614 1.565 . . . . 0.0 113.535 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.7 p -75.38 12.25 1.02 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -72.81 71.97 1.05 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.749 1.619 . . . . 0.0 111.6 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 90.03 158.47 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 130.422 3.489 . . . . 0.0 113.132 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.272 1.429 . . . . 0.0 112.527 -177.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 114.223 0.816 . . . . 0.0 114.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.82 -16.15 52.02 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.231 1.396 . . . . 0.0 114.044 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -162.22 146.11 12.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.493 2.317 . . . . 0.0 109.7 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.82 149.65 14.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.522 1.529 . . . . 0.0 110.888 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.51 158.1 5.06 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.227 -175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -85.66 144.26 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.419 1.088 . . . . 0.0 109.44 167.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.0 89.01 4.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.08 0.952 . . . . 0.0 111.486 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.79 31.43 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.836 1.655 . . . . 0.0 114.054 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -62.39 -21.35 65.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.491 -1.381 . . . . 0.0 113.539 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -79.02 -4.93 52.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.756 1.622 . . . . 0.0 114.553 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 134.65 91.49 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-N 119.186 0.903 . . . . 0.0 112.272 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -70.08 157.19 60.56 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.524 2.816 . . . . 0.0 110.902 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.65 -28.73 67.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.88 -15.38 62.62 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -92.81 -9.25 41.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.347 1.059 . . . . 0.0 112.873 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -102.12 148.63 25.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.846 1.258 . . . . 0.0 112.208 -173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -100.61 134.2 20.75 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.041 0.936 . . . . 0.0 110.71 167.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -69.55 -10.78 29.6 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.913 2.409 . . . . 0.0 116.162 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.95 -48.82 13.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.094 1.77 . . . . 0.0 111.375 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.42 -19.24 31.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.7 t70 67.7 13.85 9.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.372 2.269 . . . . 0.0 113.617 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t -146.79 -179.61 6.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.04 1.736 . . . . 0.0 110.971 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 120.19 7.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.409 1.884 . . . . 0.0 112.397 -168.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -73.47 -34.59 65.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m 71.87 -39.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.293 2.637 . . . . 0.0 112.7 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -118.64 84.13 23.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.545 2.338 . . . . 0.0 110.808 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.11 135.13 22.41 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.56 2.84 . . . . 0.0 111.952 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.74 129.45 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.233 1.813 . . . . 0.0 109.828 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -90.1 135.82 33.42 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.938 2.095 . . . . 0.0 112.06 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.18 160.8 24.87 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.885 2.074 . . . . 0.0 110.143 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -69.31 -21.35 35.71 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.865 3.043 . . . . 0.0 113.251 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 p -66.58 -11.57 53.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.477 1.511 . . . . 0.0 113.785 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.94 76.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.756 1.646 . . . . 0.0 113.822 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -65.94 141.88 58.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.477 1.511 . . . . 0.0 110.078 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -110.77 136.62 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.484 1.113 . . . . 0.0 108.986 168.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.3 ttm -138.68 159.64 41.6 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.456 1.902 . . . . 0.0 110.914 -170.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.79 125.34 25.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.601 1.16 . . . . 0.0 110.949 171.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -46.69 -54.22 10.08 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.295 1.838 . . . . 0.0 112.568 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 m -69.35 -36.14 76.58 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.555 -0.716 . . . . 0.0 111.376 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.15 -47.57 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.58 0.627 . . . . 0.0 110.77 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.17 -43.91 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.525 1.057 . . . . 0.0 112.367 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.47 -33.39 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.82 1.191 . . . . 0.0 112.249 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.97 -44.36 92.96 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.662 0.665 . . . . 0.0 110.364 172.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -66.2 -41.39 90.27 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.677 -0.639 . . . . 0.0 112.038 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -35.6 71.7 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.041 0.936 . . . . 0.0 113.521 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.7 -22.07 66.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.872 0.869 . . . . 0.0 113.339 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.48 -50.4 5.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.546 1.138 . . . . 0.0 112.108 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.2 m -150.26 143.36 16.47 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.373 1.469 . . . . 0.0 111.725 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -79.97 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.04 3.16 . . . . 0.0 110.965 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -143.79 158.8 43.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.491 1.516 . . . . 0.0 112.622 -169.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.17 126.5 91.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.808 1.243 . . . . 0.0 110.411 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -60.98 -24.71 80.13 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.851 3.034 . . . . 0.0 115.328 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.12 -42.65 5.03 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.168 0.987 . . . . 0.0 112.881 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -93.87 -26.14 17.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.0 0.92 . . . . 0.0 112.661 -172.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 75.65 4.93 3.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.998 2.519 . . . . 0.0 114.373 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -62.32 160.91 12.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.751 0.705 . . . . 0.0 110.778 166.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 90.2 mtp -69.32 148.9 49.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.3 0.572 . . . . 0.0 111.678 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -161.8 137.65 7.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.789 1.636 . . . . 0.0 108.469 -170.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.9 p -130.49 163.2 27.53 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.776 1.23 . . . . 0.0 112.748 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.84 -27.23 50.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.465 1.506 . . . . 0.0 114.164 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -75.42 -13.61 60.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.856 1.262 . . . . 0.0 113.832 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.0 mtt -92.47 -7.15 48.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.339 1.456 . . . . 0.0 113.303 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.86 154.04 21.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.255 1.422 . . . . 0.0 112.559 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -161.56 126.71 2.17 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.429 1.492 . . . . 0.0 110.001 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -71.68 141.62 38.12 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.028 2.485 . . . . 0.0 111.776 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.55 117.86 67.78 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.631 0.772 . . . . 0.0 110.457 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.53 -39.86 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 113.247 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.29 -33.26 75.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.975 0.807 . . . . 0.0 112.439 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.19 -46.03 24.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.657 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.22 -42.24 98.27 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.981 1.264 . . . . 0.0 112.251 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.78 -34.75 78.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.464 1.105 . . . . 0.0 111.842 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.6 -42.08 64.92 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.711 -0.618 . . . . 0.0 112.435 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.69 -50.98 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.007 1.323 . . . . 0.0 111.472 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -64.32 -32.48 74.1 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.9 -45.07 79.12 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.404 0.682 . . . . 0.0 111.617 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.01 -39.87 87.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.85 0.86 . . . . 0.0 112.344 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.9 mtp -61.3 -40.34 93.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.916 0.887 . . . . 0.0 111.666 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -40.04 88.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.364 0.665 . . . . 0.0 111.504 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -64.33 -36.59 84.6 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.035 0.934 . . . . 0.0 112.516 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -68.91 -32.39 71.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.387 1.075 . . . . 0.0 113.064 171.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -79.8 -35.98 37.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.812 1.245 . . . . 0.0 112.564 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -58.51 137.31 57.47 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.28 -0.887 . . . . 0.0 112.677 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m 72.84 1.0 3.86 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.931 2.092 . . . . 0.0 115.057 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -66.44 136.34 55.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.313 1.045 . . . . 0.0 112.623 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.272 1.829 . . . . 0.0 111.446 -178.229 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 N--CA 1.481 0.74 0 N-CA-C 113.678 0.607 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.98 15.05 55.48 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.395 1.474 . . . . 0.0 115.31 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -23.33 67.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.474 1.509 . . . . 0.0 114.288 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.2 143.45 19.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.923 1.689 . . . . 0.0 110.911 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 66.47 171.73 0.24 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.505 2.322 . . . . 0.0 113.792 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -91.97 142.16 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.396 1.479 . . . . 0.0 109.57 173.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.11 123.26 24.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.276 0.63 . . . . 0.0 111.158 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -119.36 19.75 12.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.786 1.235 . . . . 0.0 113.336 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.8 m -67.23 -17.91 65.01 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.428 -1.42 . . . . 0.0 112.213 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.87 -8.68 58.41 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.256 1.822 . . . . 0.0 113.596 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.25 143.92 94.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 121.051 -1.031 . . . . 0.0 111.93 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.57 156.93 57.11 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.475 2.783 . . . . 0.0 111.243 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.83 -20.4 65.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.346 1.059 . . . . 0.0 113.716 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -18.89 61.28 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.078 0.951 . . . . 0.0 113.406 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -97.34 -8.55 29.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 113.293 173.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -108.79 136.87 47.64 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.675 1.19 . . . . 0.0 112.098 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.97 138.31 49.71 Favored Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.407 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.15 -15.19 45.75 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.957 2.438 . . . . 0.0 116.146 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -84.3 -60.44 2.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.636 1.562 . . . . 0.0 110.896 172.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -87.4 -12.83 45.09 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 68.64 -1.62 1.91 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.967 2.507 . . . . 0.0 114.393 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -104.78 166.29 10.49 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.246 1.818 . . . . 0.0 111.862 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.63 118.9 8.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.626 1.57 . . . . 0.0 110.006 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -70.64 -31.2 68.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p 59.66 -29.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 130.075 3.35 . . . . 0.0 116.409 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.51 80.64 30.66 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 127.398 2.279 . . . . 0.0 109.6 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.82 134.81 22.45 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.128 2.552 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -131.38 132.5 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.411 1.484 . . . . 0.0 109.694 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -88.95 135.94 33.28 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.66 1.584 . . . . 0.0 110.736 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.2 161.23 33.55 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.863 2.065 . . . . 0.0 110.407 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.52 -22.28 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.425 2.75 . . . . 0.0 113.265 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -71.58 -8.52 54.52 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.258 1.423 . . . . 0.0 114.21 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -11.38 71.76 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.9 1.714 . . . . 0.0 113.877 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 m -67.52 146.6 53.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.417 1.887 . . . . 0.0 110.19 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.9 t -111.44 139.99 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.539 1.136 . . . . 0.0 110.079 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.6 tpp -140.61 162.97 34.11 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.987 2.115 . . . . 0.0 111.628 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.28 129.58 40.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.602 1.161 . . . . 0.0 112.16 172.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -49.85 -53.39 25.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.137 1.775 . . . . 0.0 113.803 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.15 -36.29 79.44 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.867 0.467 . . . . 0.0 111.602 -174.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -70.76 -45.16 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.706 0.803 . . . . 0.0 110.895 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.14 -46.04 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.402 1.001 . . . . 0.0 112.156 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.22 -32.72 73.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.277 0.944 . . . . 0.0 112.214 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.61 -34.57 74.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.869 0.758 . . . . 0.0 112.136 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -73.04 -35.61 66.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.157 0.89 . . . . 0.0 112.361 173.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.19 -35.42 73.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.388 0.994 . . . . 0.0 112.926 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.81 -19.59 64.29 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.996 0.918 . . . . 0.0 113.38 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -87.8 -43.32 11.94 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.831 1.252 . . . . 0.0 112.799 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -164.3 153.87 12.16 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.562 1.945 . . . . 0.0 111.006 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.25 58.45 6.64 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.328 3.352 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -147.96 158.5 44.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.766 1.627 . . . . 0.0 112.927 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.17 125.88 90.64 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 126.625 1.97 . . . . 0.0 111.579 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -59.35 -27.07 84.02 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.285 2.656 . . . . 0.0 115.319 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.16 -4.81 25.23 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -159.33 -17.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 74.99 25.56 1.37 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.353 1.861 . . . . 0.0 114.228 169.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -60.81 155.74 18.79 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.872 -0.518 . . . . 0.0 109.852 157.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -64.37 135.48 56.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 110.703 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.54 146.03 28.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.105 1.362 . . . . 0.0 109.977 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 m -144.89 154.07 42.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.963 1.705 . . . . 0.0 109.14 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.44 -23.51 57.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 p -74.28 -15.5 60.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.128 1.371 . . . . 0.0 113.798 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.3 mmt -86.87 -10.52 53.22 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.164 1.386 . . . . 0.0 112.928 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.29 154.33 21.33 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.399 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -156.38 125.32 3.03 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 109.971 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.67 138.48 35.01 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.429 2.086 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.3 t -91.0 117.25 67.78 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.608 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.7 -38.44 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.576 2.184 . . . . 0.0 113.031 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.34 -38.68 90.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.453 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.08 -44.03 61.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.593 -0.692 . . . . 0.0 111.519 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.05 -43.32 99.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.989 1.268 . . . . 0.0 112.268 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.66 -36.9 84.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.983 1.313 . . . . 0.0 111.861 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -73.04 -36.95 67.03 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.57 -0.706 . . . . 0.0 112.9 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.75 -48.82 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.538 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.79 -32.24 73.4 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.809 0.731 . . . . 0.0 112.332 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.03 86.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.754 0.706 . . . . 0.0 112.372 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -71.9 -48.07 48.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.784 0.834 . . . . 0.0 111.817 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 54.6 mtm -58.15 -33.27 69.01 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 113.411 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -54.82 -45.54 74.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.706 0.802 . . . . 0.0 111.325 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -72.64 -24.22 61.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.714 -0.616 . . . . 0.0 112.53 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.94 -31.99 63.3 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.116 -0.99 . . . . 0.0 113.4 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -101.19 -20.33 15.33 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.7 m -79.55 59.31 2.94 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.5 1.12 . . . . 0.0 112.36 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 p -74.83 -19.13 60.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.736 1.214 . . . . 0.0 113.416 175.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -100.91 144.59 29.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.094 1.758 . . . . 0.0 111.618 171.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.535 0 C-N-CA 125.632 1.573 . . . . 0.0 112.825 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 CA--C 1.539 0.759 0 N-CA-C 113.619 0.584 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.93 66.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.186 0.898 . . . . 0.0 113.77 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -76.27 -9.31 58.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -167.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.47 158.11 34.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.173 1.389 . . . . 0.0 113.003 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -65.81 150.1 49.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.54 1.536 . . . . 0.0 112.257 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.5 136.7 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.268 1.027 . . . . 0.0 109.788 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.48 126.88 31.38 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.044 0.938 . . . . 0.0 111.109 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -107.01 27.81 8.64 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -60.56 -18.88 55.34 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.273 -1.517 . . . . 0.0 113.553 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -73.73 -8.65 56.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.369 1.468 . . . . 0.0 113.74 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 140.93 97.07 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.231 -0.918 . . . . 0.0 111.737 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.55 157.44 52.65 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.89 3.06 . . . . 0.0 111.439 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.97 -27.97 67.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.657 1.183 . . . . 0.0 113.367 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.16 -17.83 62.52 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -97.61 -0.5 45.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.937 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -117.4 148.92 41.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.449 1.1 . . . . 0.0 112.662 -171.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.24 149.48 65.92 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 123.764 0.825 . . . . 0.0 111.636 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.71 -37.73 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.062 2.508 . . . . 0.0 113.111 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.57 -43.76 18.25 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.185 0.994 . . . . 0.0 112.397 -172.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 97.5 mtp -90.67 -11.66 39.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t0 58.2 30.91 20.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.031 2.133 . . . . 0.0 114.411 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -126.24 164.02 21.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.865 1.266 . . . . 0.0 111.91 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.82 115.44 8.16 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.098 1.359 . . . . 0.0 108.345 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -72.37 -31.06 65.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -164.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 p 57.06 -19.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 129.911 3.285 . . . . 0.0 116.821 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -129.81 76.56 78.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.906 2.082 . . . . 0.0 110.463 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.8 135.8 26.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.728 2.952 . . . . 0.0 111.078 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -133.21 133.88 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.365 1.866 . . . . 0.0 109.55 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -90.38 142.76 27.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.72 162.0 32.43 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 127.709 2.403 . . . . 0.0 109.614 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.94 -22.39 42.23 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.538 2.826 . . . . 0.0 112.79 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 m -70.87 -6.66 39.88 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.63 79.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.066 1.793 . . . . 0.0 114.596 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -69.86 152.01 45.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.506 2.323 . . . . 0.0 111.739 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.8 142.31 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.714 1.206 . . . . 0.0 110.908 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 tpp -140.1 164.41 30.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.331 1.852 . . . . 0.0 111.432 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.3 137.5 53.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.386 1.074 . . . . 0.0 111.954 169.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -53.27 -47.96 68.69 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.791 1.236 . . . . 0.0 113.444 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -70.4 -39.48 74.47 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.703 -0.623 . . . . 0.0 112.626 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.06 -44.01 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.319 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -66.35 -43.16 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.162 0.892 . . . . 0.0 112.092 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.71 -33.75 72.93 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.807 1.185 . . . . 0.0 112.138 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -62.01 -41.91 98.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.98 0.912 . . . . 0.0 111.014 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -68.47 -42.88 78.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.137 0.426 . . . . 0.0 112.085 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.42 -34.61 77.1 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.83 -29.32 66.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.999 0.92 . . . . 0.0 112.572 171.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -88.88 -52.57 5.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.37 1.068 . . . . 0.0 112.33 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.0 m -150.81 141.17 14.44 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.315 1.446 . . . . 0.0 111.827 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -79.67 58.83 7.15 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 124.527 3.485 . . . . 0.0 111.593 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.7 p -141.7 160.49 40.08 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.162 2.185 . . . . 0.0 111.735 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.02 136.26 91.88 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 124.735 1.214 . . . . 0.0 111.721 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.95 -14.28 43.11 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.073 3.182 . . . . 0.0 115.358 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -129.46 -32.43 1.96 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -23.83 16.72 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.776 1.23 . . . . 0.0 112.276 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 67.12 10.98 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.147 2.179 . . . . 0.0 115.114 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.43 155.97 35.99 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.545 0.738 . . . . 0.0 110.035 164.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.93 141.63 57.9 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.336 0.516 . . . . 0.0 112.19 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -151.38 126.81 10.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.269 1.028 . . . . 0.0 110.758 -173.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -123.29 153.39 40.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.152 1.781 . . . . 0.0 109.651 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.73 -26.21 61.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 113.363 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 p -66.83 -16.57 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.947 1.299 . . . . 0.0 114.209 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mmt -87.66 -11.6 47.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.73 1.212 . . . . 0.0 113.43 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.2 mt -84.87 147.94 26.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.16 1.384 . . . . 0.0 112.43 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -160.58 131.73 3.86 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.531 1.533 . . . . 0.0 109.676 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.83 142.39 39.12 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.973 2.449 . . . . 0.0 111.481 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.89 113.96 62.49 Favored Pre-proline 0 N--CA 1.48 1.075 0 C-N-CA 124.569 1.148 . . . . 0.0 110.541 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.17 -37.54 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.895 2.396 . . . . 0.0 112.978 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.55 -33.97 76.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.61 1.096 . . . . 0.0 112.863 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -78.09 -41.15 36.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.566 0.746 . . . . 0.0 111.453 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.51 -41.41 98.51 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.249 1.386 . . . . 0.0 112.365 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.38 -31.39 70.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.63 1.172 . . . . 0.0 112.538 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -73.16 -42.23 63.01 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.618 0.645 . . . . 0.0 112.495 171.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.92 -49.38 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.79 1.236 . . . . 0.0 111.08 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.65 -32.98 74.88 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.487 -0.768 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.73 -44.12 74.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.304 0.956 . . . . 0.0 111.845 175.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.24 -44.12 92.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.275 0.63 . . . . 0.0 112.203 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.0 mtm -62.43 -39.31 92.9 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.427 -0.796 . . . . 0.0 112.021 172.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -61.12 -43.11 99.38 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 112.168 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.04 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.204 0.911 . . . . 0.0 112.434 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -68.38 -36.62 79.44 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.804 0.841 . . . . 0.0 112.532 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -83.06 -34.72 26.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.606 1.562 . . . . 0.0 113.393 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.3 m -64.04 115.55 5.04 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.033 0.833 . . . . 0.0 113.105 -173.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 t -86.49 -32.29 20.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.408 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.92 155.9 28.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.798 1.639 . . . . 0.0 112.577 174.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.086 1.754 . . . . 0.0 111.681 -176.336 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo . . . . . 0 CA--C 1.541 0.827 0 N-CA-C 113.538 0.553 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.01 -9.06 68.22 Favored Glycine 0 N--CA 1.477 1.416 0 C-N-CA 124.588 1.09 . . . . 0.0 113.755 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -160.22 166.04 30.38 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.788 2.035 . . . . 0.0 110.781 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.26 172.5 17.9 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 -172.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -156.86 162.02 39.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.685 1.994 . . . . 0.0 110.605 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.6 mm -109.12 147.64 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.056 1.343 . . . . 0.0 110.424 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -75.16 108.17 7.74 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.129 1.372 . . . . 0.0 111.161 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.71 25.06 2.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.882 1.273 . . . . 0.0 113.943 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -60.34 -21.38 62.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.96 1.304 . . . . 0.0 113.717 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -77.8 -6.54 54.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.301 1.44 . . . . 0.0 113.723 175.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.85 141.97 95.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 119.069 0.85 . . . . 0.0 112.492 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.62 158.23 51.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.708 2.938 . . . . 0.0 111.269 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.08 -16.9 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.59 -18.36 51.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.556 1.143 . . . . 0.0 113.689 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -99.6 -21.19 15.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.142 1.377 . . . . 0.0 112.696 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -92.57 131.99 37.23 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 111.257 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.35 137.42 55.97 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.18 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.85 -35.63 55.1 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.652 2.235 . . . . 0.0 114.601 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -85.5 -37.7 19.39 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.181 0.992 . . . . 0.0 111.229 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.87 -30.22 66.54 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.414 0.686 . . . . 0.0 112.647 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t0 55.77 37.09 28.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.551 2.34 . . . . 0.0 112.742 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -163.65 169.24 18.82 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.565 1.946 . . . . 0.0 110.498 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.46 120.31 10.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.571 1.548 . . . . 0.0 110.372 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -173.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 p 65.48 -26.12 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.131 2.972 . . . . 0.0 114.936 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.72 82.42 63.86 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.655 1.982 . . . . 0.0 110.371 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.01 135.06 22.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.873 3.049 . . . . 0.0 111.062 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.55 130.86 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.97 1.308 . . . . 0.0 110.107 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 ttp-105 -89.51 138.13 31.73 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.169 1.788 . . . . 0.0 111.356 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -100.78 162.32 21.05 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 126.06 1.744 . . . . 0.0 110.683 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.96 -22.48 55.53 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.162 2.575 . . . . 0.0 113.818 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.8 p -77.41 -0.77 27.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.319 1.447 . . . . 0.0 114.397 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.34 -3.4 85.4 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.45 1.5 . . . . 0.0 114.448 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -71.4 150.1 45.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.868 2.067 . . . . 0.0 111.006 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.3 t -128.42 126.77 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 109.76 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -130.62 166.87 19.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.799 1.64 . . . . 0.0 111.453 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.44 136.8 57.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.223 1.409 . . . . 0.0 112.685 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -52.19 -49.53 63.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.104 1.762 . . . . 0.0 113.189 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.9 m -69.64 -37.72 76.87 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.759 -0.588 . . . . 0.0 111.794 -176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.28 -44.68 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.57 -42.08 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.743 1.156 . . . . 0.0 112.407 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.8 -32.01 68.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.048 0.84 . . . . 0.0 112.442 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -66.47 -47.34 73.4 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.789 0.722 . . . . 0.0 110.815 172.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -63.02 -34.68 78.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.55 0.614 . . . . 0.0 112.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -55.54 -34.83 65.05 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.235 1.014 . . . . 0.0 113.49 172.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.41 -27.33 63.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.98 0.912 . . . . 0.0 112.73 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -78.03 -42.91 30.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.949 0.899 . . . . 0.0 111.702 174.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -167.53 154.14 7.73 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 126.564 1.946 . . . . 0.0 111.239 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.02 62.43 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.284 3.323 . . . . 0.0 110.802 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 p -145.31 158.9 43.73 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.857 1.663 . . . . 0.0 112.33 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -66.65 136.05 94.64 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 127.143 2.177 . . . . 0.0 111.261 172.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -20.1 50.73 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.783 2.989 . . . . 0.0 115.26 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -120.03 -38.46 2.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.261 0.937 . . . . 0.0 113.355 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -93.84 -23.22 18.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.304 0.641 . . . . 0.0 112.496 -174.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 63.44 15.23 8.59 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.195 2.198 . . . . 0.0 114.473 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -60.58 152.57 25.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.075 160.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 139.14 58.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.185 0.594 . . . . 0.0 111.801 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.78 135.91 13.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.804 1.241 . . . . 0.0 109.913 -167.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 p -128.75 157.57 41.06 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.757 1.623 . . . . 0.0 111.651 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.14 -24.12 62.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.657 1.583 . . . . 0.0 114.224 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -75.1 -16.49 60.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.964 1.306 . . . . 0.0 113.573 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.5 mmm -91.05 -6.42 53.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.015 1.326 . . . . 0.0 113.364 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.8 152.81 19.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.723 1.609 . . . . 0.0 112.282 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -160.27 132.85 4.46 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.254 1.422 . . . . 0.0 109.929 173.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 143.74 53.65 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.874 2.383 . . . . 0.0 111.56 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.8 t -93.52 111.63 53.17 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.141 0.976 . . . . 0.0 110.834 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.82 -35.71 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.625 2.217 . . . . 0.0 113.011 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.26 -30.72 71.21 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.99 0.814 . . . . 0.0 112.884 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -77.74 -43.79 29.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.741 0.7 . . . . 0.0 111.208 170.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.1 -40.49 97.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.174 0.897 . . . . 0.0 112.734 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.05 -33.09 73.92 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.516 1.126 . . . . 0.0 112.125 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.67 -41.91 62.04 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -58.96 -49.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -64.93 -32.44 74.15 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.85 79.73 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.683 0.674 . . . . 0.0 111.906 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -66.49 -42.72 87.01 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.354 0.661 . . . . 0.0 111.997 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.12 -38.75 83.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.278 1.031 . . . . 0.0 112.244 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -68.07 -43.63 78.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.574 1.15 . . . . 0.0 111.678 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.46 -39.64 94.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 111.895 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -60.34 -17.84 45.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.379 1.472 . . . . 0.0 114.759 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -77.9 -23.28 48.76 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.035 -1.041 . . . . 0.0 112.038 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.0 m -110.37 -3.47 16.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.638 1.575 . . . . 0.0 113.766 -175.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.4 p -77.08 11.68 1.73 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.978 1.711 . . . . 0.0 115.256 -172.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.74 -27.57 68.99 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.981 1.312 . . . . 0.0 113.051 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.5 t60 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.337 1.455 . . . . 0.0 111.849 175.486 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 CA--C 1.543 0.958 0 N-CA-C 112.983 0.34 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.57 -31.24 10.53 Favored Glycine 0 N--CA 1.477 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 113.278 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -86.37 -21.79 27.0 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.003 0.901 . . . . 0.0 113.181 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.53 154.7 10.23 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.33 2.252 . . . . 0.0 110.634 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -129.21 163.54 25.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.839 1.656 . . . . 0.0 111.032 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.46 139.55 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.916 1.286 . . . . 0.0 109.565 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -83.78 128.6 34.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.125 0.97 . . . . 0.0 111.279 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -111.58 23.18 14.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -63.13 -13.96 42.9 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.117 -1.614 . . . . 0.0 113.657 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -76.87 -6.23 51.61 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.906 2.082 . . . . 0.0 114.023 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 146.06 83.67 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 121.037 -1.039 . . . . 0.0 113.333 -176.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.59 155.67 49.79 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.729 2.953 . . . . 0.0 111.108 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.83 -25.88 67.78 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.98 -18.3 62.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.452 1.101 . . . . 0.0 113.549 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -99.02 4.24 47.09 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.414 1.486 . . . . 0.0 112.853 173.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -121.65 150.64 41.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.146 0.885 . . . . 0.0 112.784 -169.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -82.71 146.67 53.47 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 123.962 0.905 . . . . 0.0 112.443 169.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.17 -28.86 1.78 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.088 2.525 . . . . 0.0 113.37 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.61 -47.9 20.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 111.043 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.9 mtt -100.07 -4.11 30.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.466 1.507 . . . . 0.0 113.599 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 67.66 11.29 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 128.226 2.611 . . . . 0.0 114.733 169.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -123.72 170.49 10.45 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.352 1.461 . . . . 0.0 112.317 -167.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.39 116.31 8.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.946 1.299 . . . . 0.0 109.413 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -74.78 -31.5 61.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -165.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 57.47 -23.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 130.221 3.408 . . . . 0.0 116.76 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -122.72 77.13 47.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 126.55 1.94 . . . . 0.0 110.701 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.19 135.94 28.18 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.681 2.921 . . . . 0.0 111.179 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -132.82 132.92 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.761 1.624 . . . . 0.0 109.826 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -89.43 139.49 30.46 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.822 1.649 . . . . 0.0 111.303 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.47 157.65 35.86 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.881 2.072 . . . . 0.0 109.79 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.07 -25.45 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.02 2.48 . . . . 0.0 113.075 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 m -77.46 -0.71 27.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.42 1.088 . . . . 0.0 113.741 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -7.97 69.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.241 1.4 . . . . 0.0 114.868 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 m -64.55 149.43 48.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.551 1.941 . . . . 0.0 110.264 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.3 t -118.87 137.81 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.976 1.311 . . . . 0.0 110.23 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 tpp -134.34 165.26 25.56 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.665 1.986 . . . . 0.0 110.54 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.47 136.35 49.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.365 1.066 . . . . 0.0 111.146 169.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -48.58 -52.33 23.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.742 1.617 . . . . 0.0 113.133 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -68.46 -38.64 81.27 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.637 -0.665 . . . . 0.0 111.688 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.0 mt -65.25 -46.27 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.111 0.964 . . . . 0.0 111.658 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.99 -47.35 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.905 1.23 . . . . 0.0 111.487 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.24 -32.94 74.31 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.406 1.003 . . . . 0.0 112.434 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -69.1 -33.29 73.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.549 0.74 . . . . 0.0 112.279 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -73.5 -41.71 62.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.168 0.895 . . . . 0.0 111.838 172.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.72 -36.44 74.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.551 1.14 . . . . 0.0 113.308 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -33.25 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.584 1.153 . . . . 0.0 112.982 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -87.78 -47.0 8.97 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.36 1.064 . . . . 0.0 113.184 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.7 m -151.14 146.37 19.04 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.74 1.616 . . . . 0.0 112.085 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.03 59.93 7.59 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.411 3.407 . . . . 0.0 111.33 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.4 p -148.22 159.67 43.73 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.561 1.944 . . . . 0.0 111.602 -172.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.65 142.45 94.0 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 125.824 1.65 . . . . 0.0 112.134 173.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -67.32 -18.86 50.26 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.059 3.173 . . . . 0.0 116.353 -174.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.76 -32.29 2.37 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.47 -28.34 18.64 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.399 1.08 . . . . 0.0 111.715 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 61.92 15.2 6.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.174 2.189 . . . . 0.0 114.478 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -61.65 152.31 31.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.976 . . . . 0.0 110.026 160.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -66.13 140.56 58.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.913 0.485 . . . . 0.0 111.196 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.83 137.77 19.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.115 1.366 . . . . 0.0 109.315 -167.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 m -129.94 151.51 50.42 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.021 1.728 . . . . 0.0 109.252 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.27 -32.19 64.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.053 0.941 . . . . 0.0 112.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -65.99 -17.11 64.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.106 1.362 . . . . 0.0 113.973 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 mmt -87.96 -9.27 54.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.522 1.129 . . . . 0.0 113.668 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 mt -82.64 151.57 26.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.029 1.332 . . . . 0.0 111.994 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -156.56 112.44 2.03 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.004 1.322 . . . . 0.0 110.27 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -57.22 137.87 83.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.954 2.436 . . . . 0.0 112.128 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.8 112.89 58.83 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.131 0.972 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.9 -37.13 0.63 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.893 2.396 . . . . 0.0 112.5 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.06 69.33 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.964 0.802 . . . . 0.0 112.933 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.62 -42.7 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.583 0.753 . . . . 0.0 111.558 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.8 -39.39 90.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.326 0.966 . . . . 0.0 112.808 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.49 -31.51 70.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.524 1.129 . . . . 0.0 112.445 174.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.49 -40.33 64.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.288 0.495 . . . . 0.0 112.237 171.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -59.0 -50.35 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.651 1.18 . . . . 0.0 111.236 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.44 -32.56 74.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.488 0.586 . . . . 0.0 112.553 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.56 -43.98 75.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.184 0.593 . . . . 0.0 111.875 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -62.97 -42.99 99.99 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.454 0.702 . . . . 0.0 112.154 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mtp -58.39 -40.16 81.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.324 1.05 . . . . 0.0 111.882 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.6 -46.14 83.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.433 0.693 . . . . 0.0 111.905 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -36.6 81.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.07 0.85 . . . . 0.0 112.764 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.4 -11.0 28.59 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.78 -14.46 54.4 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.038 -1.039 . . . . 0.0 112.73 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.3 p -68.53 -5.12 17.8 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -172.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 p -67.85 -28.92 67.96 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.75 -1.219 . . . . 0.0 112.936 169.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.03 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.278 2.631 . . . . 0.0 113.585 170.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 127.007 2.123 . . . . 0.0 112.658 178.628 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 CA--C 1.536 0.608 0 N-CA-C 112.951 0.327 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.14 13.49 83.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 123.521 0.581 . . . . 0.0 113.352 -170.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -67.67 -16.64 64.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.651 1.58 . . . . 0.0 114.578 -163.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -14.03 59.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.104 1.362 . . . . 0.0 114.157 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -89.16 158.57 17.86 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.183 0.993 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.8 mm -120.68 159.86 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.802 2.041 . . . . 0.0 109.771 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -72.33 99.87 2.51 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.986 -1.071 . . . . 0.0 110.751 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -84.55 14.62 4.39 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.8 m -59.66 -18.1 39.22 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.713 -1.242 . . . . 0.0 112.995 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.46 -6.29 49.34 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.418 1.887 . . . . 0.0 114.023 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 150.27 83.46 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.0 0.92 . . . . 0.0 113.17 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.92 156.56 62.62 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.479 2.786 . . . . 0.0 110.724 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.62 -23.88 67.29 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 113.585 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.12 -20.6 62.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.867 1.267 . . . . 0.0 114.036 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -98.98 -11.26 21.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.884 1.274 . . . . 0.0 113.223 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -99.05 138.48 36.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.437 1.095 . . . . 0.0 111.409 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -78.68 133.09 63.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.549 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -72.27 -11.44 26.82 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.907 2.405 . . . . 0.0 115.198 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 tp -79.84 -60.75 2.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.546 1.521 . . . . 0.0 110.938 171.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.29 -18.33 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 74.56 -1.64 3.03 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.097 2.559 . . . . 0.0 114.031 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 p -93.57 156.29 16.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.667 1.987 . . . . 0.0 112.226 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.61 116.7 5.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 109.152 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -69.21 -37.6 78.15 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p 64.22 -26.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 129.127 2.971 . . . . 0.0 115.363 -177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.45 78.67 20.32 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 127.256 2.223 . . . . 0.0 109.99 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.4 134.03 18.35 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.765 2.31 . . . . 0.0 110.197 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.16 128.26 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.736 1.214 . . . . 0.0 109.386 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -90.02 137.55 32.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.193 1.797 . . . . 0.0 110.822 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.45 162.49 25.82 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.638 2.375 . . . . 0.0 109.92 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -64.01 -23.03 67.91 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.451 2.767 . . . . 0.0 112.992 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p -80.01 -4.35 52.25 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.542 1.537 . . . . 0.0 113.93 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.42 -5.81 83.71 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.515 1.531 . . . . 0.0 114.296 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -65.09 150.18 48.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.08 2.152 . . . . 0.0 110.297 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.86 129.15 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.199 1.0 . . . . 0.0 110.662 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -130.19 163.68 26.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.316 1.846 . . . . 0.0 112.148 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.24 130.46 43.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.858 1.263 . . . . 0.0 111.22 169.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -43.98 -47.59 8.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.016 1.726 . . . . 0.0 113.438 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.1 m -70.53 -30.76 67.59 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.812 0.845 . . . . 0.0 112.754 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.5 mt -79.14 -43.29 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.317 -0.864 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tp -64.13 -44.66 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.846 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.74 -32.79 74.32 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.947 1.249 . . . . 0.0 112.485 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.16 -44.11 89.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.782 0.719 . . . . 0.0 110.885 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.2 -42.19 84.57 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.833 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.76 -36.3 76.36 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.07 -34.79 78.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.99 0.916 . . . . 0.0 112.126 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 -43.2 26.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.006 . . . . 0.0 113.389 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -162.77 150.15 11.2 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 126.269 1.828 . . . . 0.0 111.4 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.74 66.05 8.66 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.094 3.196 . . . . 0.0 111.328 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 p -147.41 153.03 39.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.655 1.582 . . . . 0.0 112.168 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.31 139.78 97.57 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.752 2.021 . . . . 0.0 111.792 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.25 -24.94 43.29 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.698 2.932 . . . . 0.0 114.899 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.76 -39.19 2.76 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.269 0.94 . . . . 0.0 113.43 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.02 -25.5 19.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.176 0.99 . . . . 0.0 112.388 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 69.3 10.93 8.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.319 2.248 . . . . 0.0 114.294 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -56.5 147.67 21.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.884 1.274 . . . . 0.0 110.402 161.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.06 140.15 58.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.234 0.614 . . . . 0.0 110.46 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.94 140.22 21.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.853 0.861 . . . . 0.0 111.11 -164.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.8 m -132.74 151.81 51.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.298 1.839 . . . . 0.0 109.327 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.71 -33.55 48.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.502 1.121 . . . . 0.0 113.508 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -64.61 -16.91 63.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.968 1.307 . . . . 0.0 114.504 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.2 mtt -85.43 -12.52 51.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.59 1.156 . . . . 0.0 113.133 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -84.4 151.59 24.58 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.29 1.436 . . . . 0.0 112.692 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -148.08 108.66 3.7 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.801 1.241 . . . . 0.0 110.082 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.82 121.79 10.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.251 2.634 . . . . 0.0 110.489 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.09 117.07 66.11 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 123.374 0.67 . . . . 0.0 110.99 -168.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.8 -32.57 1.07 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.056 2.504 . . . . 0.0 114.008 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -41.27 94.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.662 1.119 . . . . 0.0 111.534 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.08 -39.01 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.507 -0.746 . . . . 0.0 112.056 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -62.59 -44.86 95.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.627 1.103 . . . . 0.0 112.143 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.25 -32.6 73.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.929 1.292 . . . . 0.0 112.125 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.48 -41.61 65.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.257 0.481 . . . . 0.0 112.223 172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt -60.66 -50.0 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.583 1.153 . . . . 0.0 111.649 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.37 -32.04 73.47 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.821 0.737 . . . . 0.0 112.452 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.89 83.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.031 0.533 . . . . 0.0 111.943 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -67.16 -41.46 85.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.78 -0.575 . . . . 0.0 111.856 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.2 mtp -61.09 -42.72 99.03 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.402 -0.811 . . . . 0.0 111.503 173.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.76 -41.54 86.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 112.227 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.9 -39.76 94.92 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.326 0.65 . . . . 0.0 111.905 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -66.74 -39.13 87.81 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.336 -0.853 . . . . 0.0 113.292 173.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.04 -36.63 77.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.641 1.177 . . . . 0.0 111.816 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 t 76.65 -38.79 0.33 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.692 2.397 . . . . 0.0 114.372 164.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 77.07 -3.89 2.43 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.699 2.4 . . . . 0.0 113.268 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -147.16 151.4 36.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.574 1.95 . . . . 0.0 111.6 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.5 t60 . . . . . 0 C--O 1.255 1.38 0 C-N-CA 126.101 1.761 . . . . 0.0 111.565 -177.658 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 CA--C 1.537 0.66 0 N-CA-C 113.844 0.671 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.01 9.74 56.66 Favored Glycine 0 N--CA 1.477 1.42 0 C-N-CA 125.459 1.504 . . . . 0.0 114.034 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -156.66 172.6 18.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.171 1.389 . . . . 0.0 112.179 -172.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.89 171.6 14.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.587 1.555 . . . . 0.0 112.325 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -156.51 168.64 26.76 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.614 1.565 . . . . 0.0 110.134 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.52 137.6 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.858 1.263 . . . . 0.0 111.272 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.67 102.88 5.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.555 1.142 . . . . 0.0 111.363 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -83.51 24.36 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.284 1.433 . . . . 0.0 114.364 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -58.19 -21.32 46.98 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.713 -1.242 . . . . 0.0 113.286 167.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.17 -6.17 50.08 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.042 2.137 . . . . 0.0 113.703 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 142.26 98.34 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.208 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.78 156.94 63.97 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.615 2.877 . . . . 0.0 111.249 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.7 -21.58 65.87 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.3 -15.41 60.0 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 113.753 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -94.32 -20.62 19.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.01 1.324 . . . . 0.0 112.922 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm105 -95.54 133.23 39.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 111.978 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.46 137.8 59.41 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.946 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.25 -14.02 42.41 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.215 2.61 . . . . 0.0 115.858 -172.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -79.93 -60.73 2.23 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.825 1.648 . . . . 0.0 111.148 170.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.15 -19.27 30.36 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.54 41.07 32.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.669 1.988 . . . . 0.0 113.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -145.34 162.42 37.29 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.007 1.723 . . . . 0.0 109.884 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 119.21 6.42 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.513 1.125 . . . . 0.0 110.853 -171.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -71.95 -35.62 69.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 71.48 -29.48 0.19 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.716 2.407 . . . . 0.0 113.21 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -125.68 80.34 66.65 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.413 2.285 . . . . 0.0 109.965 174.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.32 134.89 25.64 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.049 2.499 . . . . 0.0 110.067 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -131.28 137.83 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.535 1.534 . . . . 0.0 109.819 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -89.71 131.29 35.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.758 2.023 . . . . 0.0 110.143 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.02 161.26 28.87 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.901 1.68 . . . . 0.0 109.888 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.75 -21.87 50.67 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.411 2.741 . . . . 0.0 113.448 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 p -74.89 -5.81 45.74 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 1.36 74.74 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.672 1.606 . . . . 0.0 114.435 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -70.06 140.95 52.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.347 1.459 . . . . 0.0 110.36 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -103.39 137.8 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.743 1.217 . . . . 0.0 109.564 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.6 ttm -151.06 159.17 44.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.386 1.475 . . . . 0.0 111.257 -173.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -67.75 128.29 35.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.616 1.166 . . . . 0.0 110.979 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -46.25 -46.89 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.858 1.663 . . . . 0.0 113.101 173.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -69.4 -37.55 77.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 111.974 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.8 mt -73.68 -41.2 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.94 -42.28 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.426 -0.796 . . . . 0.0 112.286 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 pp -69.26 -32.05 70.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.825 1.193 . . . . 0.0 112.045 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -65.0 -46.67 80.45 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.476 0.71 . . . . 0.0 110.415 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -68.93 -34.95 76.21 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.37 -0.831 . . . . 0.0 112.518 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.4 mt -57.49 -35.21 69.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.06 0.944 . . . . 0.0 112.897 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.72 -42.55 97.89 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.174 0.99 . . . . 0.0 111.172 171.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.57 -45.22 76.21 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 113.501 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -163.73 153.08 12.32 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 126.105 1.762 . . . . 0.0 111.596 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.48 51.69 3.63 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.607 3.538 . . . . 0.0 111.679 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 p -144.81 160.58 41.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.383 1.873 . . . . 0.0 112.59 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.33 132.15 91.61 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 126.636 1.974 . . . . 0.0 111.605 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -64.82 -23.75 62.13 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.746 2.964 . . . . 0.0 115.304 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -110.34 -39.47 4.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.414 1.086 . . . . 0.0 112.577 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -102.0 -19.52 15.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.75 0.82 . . . . 0.0 112.895 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 66.84 12.27 8.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.703 2.001 . . . . 0.0 114.823 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -65.0 152.24 43.89 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.261 1.024 . . . . 0.0 110.343 166.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.72 140.11 58.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.106 0.562 . . . . 0.0 111.004 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -152.33 139.94 19.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.935 0.894 . . . . 0.0 110.248 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -134.47 152.56 51.87 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.013 1.725 . . . . 0.0 109.902 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -54.06 -32.32 54.28 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.942 1.297 . . . . 0.0 113.354 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 p -70.3 -14.57 62.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.008 1.323 . . . . 0.0 114.188 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.2 mtt -88.23 -6.79 57.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.053 1.341 . . . . 0.0 112.851 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.29 152.31 22.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.659 1.584 . . . . 0.0 112.189 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -158.99 131.77 4.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.905 1.682 . . . . 0.0 109.153 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.5 142.54 49.36 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.585 2.19 . . . . 0.0 111.283 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -89.27 112.51 51.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.388 1.075 . . . . 0.0 109.932 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.12 -38.62 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.601 2.201 . . . . 0.0 112.79 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.75 -20.69 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -92.82 -45.59 7.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.554 0.742 . . . . 0.0 111.604 170.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.63 -40.34 91.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.693 1.133 . . . . 0.0 112.672 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.87 -34.46 77.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.189 0.996 . . . . 0.0 112.559 176.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -73.04 -41.22 64.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.17 0.588 . . . . 0.0 112.245 173.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.64 -51.27 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.501 1.121 . . . . 0.0 111.268 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.92 -32.49 74.02 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.22 75.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.83 0.852 . . . . 0.0 111.804 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -64.95 -45.46 85.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.873 0.869 . . . . 0.0 112.136 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -57.75 -36.02 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.894 0.878 . . . . 0.0 112.281 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -68.56 -45.56 71.78 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.044 0.937 . . . . 0.0 111.931 174.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.15 -38.83 92.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.939 0.896 . . . . 0.0 112.547 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.25 -26.09 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.093 -1.004 . . . . 0.0 113.501 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.55 -34.85 60.75 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.275 -0.891 . . . . 0.0 112.272 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.8 m -71.71 -19.98 61.98 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.261 0.937 . . . . 0.0 113.369 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -70.51 -13.19 62.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.288 1.435 . . . . 0.0 114.095 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.65 130.92 55.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.609 1.563 . . . . 0.0 110.421 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.134 1.774 . . . . 0.0 112.458 -170.792 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 CA--C 1.541 0.854 0 N-CA-C 112.823 0.278 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.87 -17.59 78.34 Favored Glycine 0 N--CA 1.476 1.32 0 C-N-CA 126.536 2.017 . . . . 0.0 114.171 -1.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m 75.41 -4.59 2.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.285 2.234 . . . . 0.0 114.91 167.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.78 163.8 39.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.739 1.616 . . . . 0.0 112.137 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.25 165.04 22.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.419 1.888 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -81.02 142.98 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.3 1.04 . . . . 0.0 111.136 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -81.27 93.97 6.63 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.743 1.217 . . . . 0.0 110.297 171.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -78.17 19.46 0.44 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -63.35 -9.77 13.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.404 -1.435 . . . . 0.0 113.616 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.42 -8.69 59.77 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.621 1.968 . . . . 0.0 113.501 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 149.93 90.3 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.718 -1.239 . . . . 0.0 112.998 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.06 156.67 59.46 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.519 2.813 . . . . 0.0 111.187 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.56 -31.17 69.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.447 1.099 . . . . 0.0 113.273 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -92.2 -5.62 52.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.459 1.103 . . . . 0.0 112.599 172.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -115.99 136.96 52.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.363 1.065 . . . . 0.0 112.297 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.59 141.55 48.7 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.031 0.932 . . . . 0.0 112.067 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.14 -35.15 66.13 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.689 2.259 . . . . 0.0 114.537 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 tp -72.6 -53.97 10.42 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.428 0.558 . . . . 0.0 111.662 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mmm -89.37 -10.81 45.23 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.13 8.77 7.02 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.297 2.239 . . . . 0.0 114.436 172.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -137.21 172.91 12.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.276 1.43 . . . . 0.0 111.924 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.35 121.83 11.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.452 1.901 . . . . 0.0 111.093 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -71.9 -29.2 64.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 p 66.96 -28.82 0.14 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 129.123 2.969 . . . . 0.0 115.005 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -132.84 89.13 35.62 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 127.349 2.26 . . . . 0.0 109.157 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.73 135.33 14.27 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.567 2.845 . . . . 0.0 111.641 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.52 126.98 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.906 1.282 . . . . 0.0 109.81 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -89.85 136.88 32.78 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.338 1.855 . . . . 0.0 110.944 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 165.3 17.49 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 127.339 2.255 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.89 -21.77 73.37 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.067 2.511 . . . . 0.0 113.603 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.2 p -71.57 -12.41 61.35 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.682 1.193 . . . . 0.0 114.184 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.16 -3.86 85.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.55 1.548 . . . . 0.0 114.056 -172.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.5 m -75.34 148.12 39.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.185 1.394 . . . . 0.0 109.757 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.8 t -116.08 132.74 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.352 1.061 . . . . 0.0 110.356 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -126.4 165.97 18.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 111.725 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.92 129.89 41.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.282 1.433 . . . . 0.0 111.556 168.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -47.26 -53.73 12.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 113.419 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -70.61 -34.26 71.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.116 0.566 . . . . 0.0 111.455 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.72 -46.03 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.727 0.694 . . . . 0.0 110.213 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.38 -43.82 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.358 0.981 . . . . 0.0 112.244 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.32 -33.41 73.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.121 0.873 . . . . 0.0 112.004 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.17 76.94 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.321 0.964 . . . . 0.0 111.604 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.0 -33.77 74.95 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.342 0.974 . . . . 0.0 112.583 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.16 -35.36 67.1 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.82 1.248 . . . . 0.0 113.492 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -25.51 64.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.717 0.807 . . . . 0.0 112.549 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.1 -53.1 5.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.067 0.947 . . . . 0.0 111.121 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -152.35 144.29 16.49 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 125.262 1.425 . . . . 0.0 111.719 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.71 55.43 5.67 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.191 3.261 . . . . 0.0 110.571 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -145.24 160.74 41.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.189 1.396 . . . . 0.0 112.411 -168.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -64.06 135.95 96.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 125.627 1.571 . . . . 0.0 110.551 170.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.49 -13.79 30.41 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.661 2.907 . . . . 0.0 115.601 -172.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -125.17 -28.42 3.41 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -105.68 -31.55 8.85 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.606 1.562 . . . . 0.0 111.906 -175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.268 81.4 mtt-85 66.43 23.82 10.51 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.214 1.805 . . . . 0.0 114.559 166.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.96 165.59 19.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 110.293 150.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -60.79 147.72 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.022 0.929 . . . . 0.0 112.482 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -156.25 134.03 11.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.138 1.775 . . . . 0.0 109.546 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -129.54 151.41 50.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.153 1.381 . . . . 0.0 109.379 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.25 -23.09 65.4 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 p -71.62 -18.68 62.19 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.64 1.176 . . . . 0.0 113.344 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.7 mmt -91.5 -9.57 43.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 113.112 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.49 148.96 27.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.328 1.451 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -150.39 124.81 4.59 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 124.546 1.138 . . . . 0.0 110.046 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.11 119.69 6.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.728 2.285 . . . . 0.0 109.117 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.4 116.66 66.72 Favored Pre-proline 0 N--CA 1.477 0.887 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.833 -170.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.67 -33.56 1.22 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.902 2.401 . . . . 0.0 114.021 -168.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.98 -37.77 88.64 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.758 1.163 . . . . 0.0 112.048 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -41.56 56.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.03 0.932 . . . . 0.0 110.649 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.99 -43.43 98.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.208 -0.932 . . . . 0.0 112.398 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.34 -36.01 82.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.503 1.121 . . . . 0.0 111.632 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -68.89 -46.6 67.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.904 0.482 . . . . 0.0 111.22 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.28 -47.91 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.015 0.926 . . . . 0.0 112.009 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.731 0.696 . . . . 0.0 112.687 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.8 65.31 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.327 0.512 . . . . 0.0 111.538 169.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.91 -40.62 96.1 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.298 0.639 . . . . 0.0 112.635 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.7 mtm -60.14 -38.32 82.74 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.983 -1.073 . . . . 0.0 112.044 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.29 -42.32 83.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.415 0.686 . . . . 0.0 111.826 174.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.44 -39.0 85.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.543 0.737 . . . . 0.0 112.225 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.4 -34.7 70.6 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.03 -39.45 90.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.808 0.843 . . . . 0.0 111.198 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t 131.27 138.66 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 131.126 3.77 . . . . 0.0 111.716 163.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 p -88.17 -12.12 44.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.096 1.358 . . . . 0.0 113.315 173.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -81.42 127.99 33.38 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.732 1.213 . . . . 0.0 111.304 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.7 t60 . . . . . 0 C--O 1.256 1.402 0 C-N-CA 124.882 1.273 . . . . 0.0 112.233 -175.553 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.543 0.932 0 N-CA-C 113.96 0.715 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.3 0.08 89.87 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.079 1.323 . . . . 0.0 115.059 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -71.08 -8.67 55.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.484 1.514 . . . . 0.0 114.457 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.32 161.28 38.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.921 1.688 . . . . 0.0 111.929 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.79 164.99 19.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.114 1.366 . . . . 0.0 112.213 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.64 -35.04 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.579 1.151 . . . . 0.0 112.313 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.7 t70 75.01 -9.79 1.32 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.734 2.814 . . . . 0.0 114.787 174.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 54.14 28.5 9.06 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.318 2.247 . . . . 0.0 115.51 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.4 m -58.03 -23.52 54.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.999 1.32 . . . . 0.0 113.41 170.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.89 -9.61 59.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.785 1.634 . . . . 0.0 113.533 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.4 147.88 98.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.224 -0.923 . . . . 0.0 112.014 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.29 157.22 57.49 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.389 2.726 . . . . 0.0 111.291 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.07 -19.42 65.22 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.89 -17.47 57.27 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 173.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -98.56 -16.57 19.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.661 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -97.09 131.46 43.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.756 1.222 . . . . 0.0 111.548 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.81 140.32 40.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.881 0.872 . . . . 0.0 111.279 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.08 -38.81 54.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 123.268 2.645 . . . . 0.0 114.58 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -87.64 -35.25 18.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.0 0.92 . . . . 0.0 111.498 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 ttt -66.84 -32.16 73.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.56 0.744 . . . . 0.0 112.39 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 60.68 32.29 20.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.0 2.12 . . . . 0.0 112.587 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -168.56 174.89 6.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.024 2.13 . . . . 0.0 111.154 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.31 121.5 12.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.737 1.615 . . . . 0.0 110.547 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -68.09 -37.95 81.78 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m 73.35 -34.52 0.29 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.041 2.536 . . . . 0.0 113.044 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.55 83.38 41.22 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 127.154 2.182 . . . . 0.0 109.97 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.74 135.84 20.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.146 2.564 . . . . 0.0 111.416 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.98 125.83 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.835 1.254 . . . . 0.0 109.661 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -90.46 136.36 33.11 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.703 1.201 . . . . 0.0 111.369 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.27 163.58 20.4 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 127.092 2.157 . . . . 0.0 110.64 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.59 -23.53 56.95 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.966 2.444 . . . . 0.0 113.883 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -71.22 -8.16 51.72 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 173.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.22 -5.11 83.03 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.506 1.527 . . . . 0.0 113.805 -174.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 m -68.74 147.46 51.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.412 1.885 . . . . 0.0 109.456 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.4 t -122.33 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.165 0.986 . . . . 0.0 110.068 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -123.26 163.38 20.81 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 111.923 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.77 133.81 55.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.323 1.049 . . . . 0.0 112.242 165.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -47.3 -54.69 10.36 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.621 1.568 . . . . 0.0 112.846 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -68.29 -33.64 74.71 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.522 -0.736 . . . . 0.0 111.999 -171.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -73.44 -44.21 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.109 -0.994 . . . . 0.0 111.956 175.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.78 -41.21 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 119.974 1.261 . . . . 0.0 111.545 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.93 -33.99 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.617 0.644 . . . . 0.0 112.212 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -70.68 -33.48 70.96 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.138 0.881 . . . . 0.0 112.366 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.3 -38.05 68.83 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.761 0.709 . . . . 0.0 111.861 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.66 -36.55 69.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.067 0.947 . . . . 0.0 112.85 171.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.93 -22.4 65.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.291 1.036 . . . . 0.0 113.417 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.35 -44.16 11.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.772 0.829 . . . . 0.0 112.475 173.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -164.3 155.0 13.2 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.165 1.786 . . . . 0.0 111.739 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.71 59.14 7.14 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 124.298 3.332 . . . . 0.0 111.073 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -143.01 157.26 44.71 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.772 1.629 . . . . 0.0 112.512 -171.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -66.9 134.46 94.02 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 127.661 2.384 . . . . 0.0 111.457 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -67.13 -21.81 48.16 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.25 3.3 . . . . 0.0 114.85 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -118.23 -36.0 3.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.34 0.973 . . . . 0.0 113.374 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -97.28 -28.07 14.22 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.069 0.948 . . . . 0.0 112.743 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 65.96 17.32 10.77 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.251 2.22 . . . . 0.0 114.045 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -59.13 158.95 8.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.763 0.825 . . . . 0.0 110.279 155.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.45 141.91 58.35 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.047 0.539 . . . . 0.0 111.486 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -152.4 133.28 14.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.44 1.496 . . . . 0.0 110.085 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -129.69 154.09 47.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.724 1.609 . . . . 0.0 109.651 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.03 -36.09 49.09 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.766 1.227 . . . . 0.0 113.102 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -64.35 -15.8 61.05 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 mtt -90.2 -14.3 33.73 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.319 1.448 . . . . 0.0 112.947 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.28 153.23 20.62 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.519 1.528 . . . . 0.0 112.595 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.15 119.68 2.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.593 1.157 . . . . 0.0 109.473 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.5 125.43 18.76 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.258 2.638 . . . . 0.0 110.576 170.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.6 114.94 65.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 123.346 0.658 . . . . 0.0 111.076 -168.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.0 -32.35 1.9 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.219 2.613 . . . . 0.0 113.203 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.91 -20.89 66.69 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.293 0.951 . . . . 0.0 113.344 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.83 -45.73 10.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.697 0.799 . . . . 0.0 111.527 166.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.8 -37.87 80.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.534 1.061 . . . . 0.0 113.267 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.13 -33.39 74.4 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.85 0.86 . . . . 0.0 112.724 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.65 -41.95 62.04 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.903 0.881 . . . . 0.0 111.802 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.74 -51.99 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.174 1.39 . . . . 0.0 110.806 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.19 -32.88 74.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.771 0.714 . . . . 0.0 112.271 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.28 85.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.01 0.823 . . . . 0.0 111.415 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -66.78 -46.04 76.53 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.815 0.846 . . . . 0.0 111.823 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.1 mtp -59.43 -35.59 74.29 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.0 112.333 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.53 -39.89 81.41 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.202 1.001 . . . . 0.0 112.149 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.93 -36.47 83.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.674 0.789 . . . . 0.0 111.741 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.75 -42.33 67.36 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.518 -0.739 . . . . 0.0 111.515 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -67.33 -28.57 68.08 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.756 1.222 . . . . 0.0 112.785 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 m -63.92 -16.72 62.12 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.903 -1.123 . . . . 0.0 113.646 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -82.51 -13.32 56.86 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.848 -1.157 . . . . 0.0 113.934 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.51 -28.98 26.33 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.929 -1.107 . . . . 0.0 112.981 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 125.621 1.568 . . . . 0.0 112.694 -177.374 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.553 0 CA-C-O 121.098 0.374 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.65 21.49 74.63 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.987 -161.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -115.34 -39.83 3.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.393 1.877 . . . . 0.0 111.672 -169.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.87 5.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 112.615 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.25 161.14 43.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.517 1.927 . . . . 0.0 111.824 -168.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.98 140.75 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.64 1.176 . . . . 0.0 109.858 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -87.03 99.28 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.066 0.946 . . . . 0.0 109.942 166.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -77.31 11.04 2.1 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -57.65 -18.53 20.94 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.254 1.422 . . . . 0.0 113.47 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.5 -6.85 43.6 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.689 1.996 . . . . 0.0 113.886 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 147.09 86.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.592 1.157 . . . . 0.0 112.886 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.67 159.02 49.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.607 2.871 . . . . 0.0 110.637 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -15.55 9.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.762 1.225 . . . . 0.0 114.107 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.32 -37.18 72.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.299 1.44 . . . . 0.0 112.011 170.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -106.71 0.75 24.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.652 1.581 . . . . 0.0 113.127 -170.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -113.52 134.7 54.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.861 1.264 . . . . 0.0 111.763 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.86 142.87 27.98 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.005 1.322 . . . . 0.0 110.66 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.63 -36.89 73.06 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.58 2.853 . . . . 0.0 114.713 -173.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 tp -95.04 -33.8 12.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -34.35 78.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.955 0.502 . . . . 0.0 111.827 170.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 66.72 21.65 10.53 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.308 1.843 . . . . 0.0 113.342 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -163.75 -178.35 5.69 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.006 2.122 . . . . 0.0 110.33 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.5 114.51 2.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.204 1.402 . . . . 0.0 110.592 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -71.04 -34.97 71.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m 74.07 -36.16 0.33 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 128.045 2.538 . . . . 0.0 112.324 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -121.16 81.83 37.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 127.157 2.183 . . . . 0.0 109.433 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.36 135.39 26.62 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.524 2.816 . . . . 0.0 110.807 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.26 130.42 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.593 1.157 . . . . 0.0 109.945 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -89.74 135.88 33.36 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.593 1.157 . . . . 0.0 111.733 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.36 165.09 35.3 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.947 2.099 . . . . 0.0 110.506 173.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.79 -22.95 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.95 2.433 . . . . 0.0 113.068 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -75.16 -3.82 35.19 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.684 1.194 . . . . 0.0 113.792 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.77 -9.74 76.18 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 126.048 1.785 . . . . 0.0 114.562 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -71.31 148.28 47.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.717 2.007 . . . . 0.0 110.567 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.6 t -110.98 130.89 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.637 1.175 . . . . 0.0 110.777 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -132.78 166.58 21.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.442 1.897 . . . . 0.0 112.278 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.57 135.17 48.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 113.1 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -57.12 -46.47 82.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.515 1.126 . . . . 0.0 113.667 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -66.26 -35.64 80.93 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.114 -0.991 . . . . 0.0 112.385 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -73.38 -43.66 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.529 1.132 . . . . 0.0 111.293 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.67 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.55 0.613 . . . . 0.0 111.102 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.26 -34.12 70.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.258 -0.901 . . . . 0.0 112.284 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.58 -38.54 91.35 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.253 0.933 . . . . 0.0 111.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -63.55 -52.62 60.32 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.784 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.17 -36.05 67.89 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tt -62.78 -38.55 91.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.286 1.434 . . . . 0.0 111.994 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.73 -44.44 27.8 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.24 1.016 . . . . 0.0 112.461 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -169.77 154.08 5.2 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.441 1.496 . . . . 0.0 112.572 -169.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.77 68.0 8.3 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.375 2.717 . . . . 0.0 111.017 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -139.29 146.73 40.71 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.286 1.434 . . . . 0.0 113.515 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.31 139.33 97.41 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.63 1.972 . . . . 0.0 111.182 169.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -68.67 -24.05 35.59 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.302 2.668 . . . . 0.0 115.378 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -123.81 -37.19 2.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.842 1.201 . . . . 0.0 113.384 -175.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -86.12 -25.73 25.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.532 0.733 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 71.38 6.01 5.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.834 2.454 . . . . 0.0 114.385 175.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -57.97 157.09 8.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.343 1.457 . . . . 0.0 111.359 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.17 136.42 55.9 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.009 0.524 . . . . 0.0 111.032 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -152.24 136.36 16.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 111.076 -167.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 m -123.83 151.95 42.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.046 1.738 . . . . 0.0 109.165 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.1 -22.78 61.37 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 p -68.51 -17.54 64.19 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.62 1.568 . . . . 0.0 113.473 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.6 mmt -89.03 -8.44 54.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.987 1.315 . . . . 0.0 112.928 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.0 155.69 21.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.063 1.345 . . . . 0.0 112.481 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -155.22 117.23 2.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.9 1.28 . . . . 0.0 110.294 171.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.16 136.5 76.83 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.6 2.867 . . . . 0.0 111.989 173.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.38 114.84 61.99 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.057 0.943 . . . . 0.0 111.017 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.47 -39.65 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.77 2.313 . . . . 0.0 112.081 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.45 -21.05 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.82 -43.1 11.48 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.429 168.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -65.45 -36.95 85.45 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.28 1.4 . . . . 0.0 113.228 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.27 -30.64 68.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.933 0.893 . . . . 0.0 112.41 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -73.05 -40.59 64.96 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.887 0.767 . . . . 0.0 112.241 170.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.46 -52.2 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 111.427 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -30.77 71.46 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.175 0.443 . . . . 0.0 112.148 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.24 66.56 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.1 0.863 . . . . 0.0 111.731 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -63.86 -43.17 96.92 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.354 -0.842 . . . . 0.0 112.355 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.8 mtp -60.86 -34.68 74.96 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.601 0.76 . . . . 0.0 112.53 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -67.54 -44.67 77.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.177 0.591 . . . . 0.0 111.817 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.21 -36.55 80.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.954 0.797 . . . . 0.0 112.765 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.74 -18.17 65.14 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -100.26 -34.43 10.01 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.062 1.345 . . . . 0.0 111.26 175.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -75.11 -10.41 59.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.786 1.234 . . . . 0.0 113.942 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 p -75.08 -10.9 59.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.124 1.37 . . . . 0.0 114.452 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.03 129.95 43.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.717 1.207 . . . . 0.0 111.94 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 124.451 1.101 . . . . 0.0 112.947 -168.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 CA--C 1.542 0.916 0 N-CA-C 113.843 0.67 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.93 6.89 59.0 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.821 1.201 . . . . 0.0 114.238 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -80.31 -18.18 49.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.01 1.324 . . . . 0.0 113.937 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.65 157.29 23.31 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.843 1.657 . . . . 0.0 111.799 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -142.57 158.74 43.35 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.143 1.777 . . . . 0.0 110.9 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.01 145.23 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.843 0.857 . . . . 0.0 109.398 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.1 107.96 5.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.723 0.809 . . . . 0.0 111.184 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -99.46 24.55 7.99 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.841 1.256 . . . . 0.0 113.219 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -60.43 -17.71 46.16 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.521 -1.362 . . . . 0.0 114.004 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.297 2.639 . . . . 0.0 114.291 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 148.05 61.28 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.293 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.79 155.8 61.85 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.236 2.624 . . . . 0.0 111.8 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.5 -26.73 68.7 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.617 1.167 . . . . 0.0 113.553 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.78 -16.5 63.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -98.08 -1.49 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.395 1.478 . . . . 0.0 113.014 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -120.25 134.98 55.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 0.0 112.227 -167.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.35 134.02 49.28 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-O 118.61 -0.71 . . . . 0.0 111.045 173.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.91 -20.93 50.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.463 2.775 . . . . 0.0 115.148 -174.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.07 -47.9 19.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 120.218 1.372 . . . . 0.0 112.08 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.7 mtp -92.08 -20.12 21.61 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 56.6 52.77 9.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.946 1.698 . . . . 0.0 112.551 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -156.72 161.52 39.82 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.901 1.68 . . . . 0.0 110.828 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 120.62 12.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.087 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -71.05 -36.19 72.23 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 p 65.19 -31.7 0.14 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 129.359 3.064 . . . . 0.0 114.958 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.26 86.19 37.77 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.678 1.991 . . . . 0.0 110.047 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -71.25 134.87 25.76 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.197 2.598 . . . . 0.0 110.882 171.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.5 t -129.92 132.11 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.56 1.544 . . . . 0.0 109.461 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -89.94 140.17 29.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.956 2.102 . . . . 0.0 111.46 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 mt -98.09 160.25 28.78 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.933 2.093 . . . . 0.0 110.979 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.37 -21.88 66.38 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.269 2.646 . . . . 0.0 113.504 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.0 p -71.6 -11.25 60.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -2.59 80.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.751 1.644 . . . . 0.0 113.997 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.9 m -69.81 145.8 51.86 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.816 1.246 . . . . 0.0 110.051 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.4 t -113.02 143.21 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.981 1.313 . . . . 0.0 110.081 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.4 ttm -146.89 162.7 38.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.827 2.051 . . . . 0.0 111.14 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.5 135.76 47.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.368 1.067 . . . . 0.0 112.148 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -52.69 -51.24 61.16 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.547 1.539 . . . . 0.0 113.717 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 m -68.81 -37.63 79.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.608 -0.682 . . . . 0.0 112.517 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.95 -48.2 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.005 0.922 . . . . 0.0 111.084 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -64.24 -45.62 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 119.233 0.924 . . . . 0.0 111.628 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.21 -34.42 77.45 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.758 1.163 . . . . 0.0 112.553 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -66.96 -38.32 85.89 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.848 0.749 . . . . 0.0 111.859 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -67.0 -46.6 74.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.865 0.757 . . . . 0.0 111.142 174.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.62 -37.22 72.91 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.68 1.192 . . . . 0.0 113.347 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.43 -33.99 75.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.987 1.315 . . . . 0.0 112.601 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -79.67 -44.12 21.47 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.771 0.828 . . . . 0.0 111.321 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 p -169.91 145.15 2.4 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.773 1.629 . . . . 0.0 111.682 172.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.25 75.89 4.08 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.647 2.898 . . . . 0.0 112.316 -170.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -145.11 158.51 43.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.362 1.865 . . . . 0.0 111.537 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.18 134.28 91.47 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.618 1.167 . . . . 0.0 112.376 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -65.91 -22.24 56.17 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.506 2.804 . . . . 0.0 115.215 -174.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.1 -32.08 7.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.448 1.022 . . . . 0.0 113.151 -177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -102.99 -27.81 12.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.085 1.354 . . . . 0.0 112.871 -173.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 67.82 12.65 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.947 2.099 . . . . 0.0 114.501 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.27 157.72 37.17 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.802 0.841 . . . . 0.0 110.561 164.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -63.17 134.85 56.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.006 0.922 . . . . 0.0 111.706 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.76 120.31 5.09 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.382 1.473 . . . . 0.0 109.6 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -113.67 161.32 17.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.726 1.21 . . . . 0.0 112.154 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.87 -23.68 61.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.266 1.427 . . . . 0.0 113.872 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.0 p -70.86 -16.65 62.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.787 1.235 . . . . 0.0 113.814 174.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.6 mtt -89.11 -7.54 55.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.095 1.358 . . . . 0.0 113.377 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.6 154.67 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.377 1.471 . . . . 0.0 112.357 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -160.9 129.1 2.88 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.688 1.595 . . . . 0.0 109.681 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.52 144.96 41.37 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.677 2.252 . . . . 0.0 111.507 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.3 113.06 62.66 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 0.0 111.427 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.7 -34.64 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.237 2.625 . . . . 0.0 112.892 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.43 -23.22 66.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.417 1.008 . . . . 0.0 113.403 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.45 -41.93 11.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.336 1.054 . . . . 0.0 111.655 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.44 -35.33 80.55 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.43 1.014 . . . . 0.0 112.815 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.86 -34.71 79.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.149 1.38 . . . . 0.0 112.473 173.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.63 -40.78 63.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.135 0.574 . . . . 0.0 111.974 172.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.08 -48.8 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.256 1.022 . . . . 0.0 111.012 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -66.43 -32.2 73.42 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.31 0.959 . . . . 0.0 112.595 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.24 90.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.632 -0.668 . . . . 0.0 112.051 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -67.38 -44.05 79.89 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.376 0.67 . . . . 0.0 112.135 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.6 mtp -57.85 -35.63 71.19 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.302 1.041 . . . . 0.0 112.425 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -59.77 -45.26 92.83 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.243 -0.91 . . . . 0.0 112.207 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.42 -37.11 82.55 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.315 0.646 . . . . 0.0 112.237 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -68.42 -33.68 74.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.197 0.999 . . . . 0.0 113.106 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.77 -53.48 13.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.387 1.475 . . . . 0.0 110.982 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -167.52 -25.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -165.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m 68.7 1.97 3.26 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.783 2.033 . . . . 0.0 113.477 -170.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.79 128.73 37.0 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.545 -1.347 . . . . 0.0 112.139 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m80 . . . . . 0 C--O 1.257 1.463 0 C-N-CA 125.16 1.384 . . . . 0.0 112.178 -175.801 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo . . . . . 0 CA--C 1.538 0.691 0 N-CA-C 114.413 0.889 . . . . 0.0 114.413 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.07 16.22 39.09 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.259 1.409 . . . . 0.0 113.37 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -109.47 -44.13 3.95 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.069 1.347 . . . . 0.0 112.128 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.51 0.45 0.68 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.927 1.291 . . . . 0.0 113.635 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mp0 -79.69 154.22 28.76 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.864 2.066 . . . . 0.0 111.75 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mm -87.48 157.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.69 1.196 . . . . 0.0 110.111 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -75.09 88.27 2.42 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.336 -0.853 . . . . 0.0 109.797 168.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -74.92 16.08 0.33 Allowed 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -63.24 -6.9 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.283 -1.511 . . . . 0.0 113.514 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.12 -8.04 58.66 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.419 1.888 . . . . 0.0 113.475 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 152.73 78.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.923 1.289 . . . . 0.0 113.494 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.03 156.44 56.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.679 2.919 . . . . 0.0 111.272 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.19 -25.4 67.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.437 1.095 . . . . 0.0 113.855 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.97 -19.81 61.83 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -94.56 -0.2 54.74 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 0.0 112.881 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -119.31 143.98 47.08 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.362 1.065 . . . . 0.0 112.047 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.35 139.54 25.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 124.002 0.921 . . . . 0.0 110.773 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -37.04 54.62 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.146 2.564 . . . . 0.0 114.471 -174.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -81.93 -40.03 22.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.363 0.665 . . . . 0.0 111.072 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -68.03 -29.88 68.98 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 71.78 5.59 5.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.707 2.803 . . . . 0.0 113.266 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -151.86 179.65 8.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.605 1.562 . . . . 0.0 111.585 -169.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 118.63 7.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 111.359 -170.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -74.41 -34.59 63.31 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 p 66.69 -23.0 0.1 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 128.546 2.738 . . . . 0.0 115.463 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.39 81.05 71.34 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 126.359 1.864 . . . . 0.0 110.121 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.85 135.65 17.81 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.52 2.814 . . . . 0.0 111.996 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.7 t -123.36 129.37 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 126.168 1.787 . . . . 0.0 109.342 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -89.99 135.34 33.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.57 2.348 . . . . 0.0 110.963 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.16 163.95 20.51 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.447 2.299 . . . . 0.0 110.216 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.18 -24.14 59.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.056 2.504 . . . . 0.0 112.873 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -75.06 -6.78 51.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.903 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.91 77.98 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.847 1.689 . . . . 0.0 114.185 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -64.06 150.19 45.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.625 1.97 . . . . 0.0 110.338 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.94 132.45 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.966 0.907 . . . . 0.0 109.753 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -137.82 171.78 13.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.563 1.945 . . . . 0.0 111.544 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -70.81 136.19 48.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.255 1.022 . . . . 0.0 113.032 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -49.04 -52.24 26.47 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.602 1.961 . . . . 0.0 113.798 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -70.35 -38.46 74.81 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.434 -0.791 . . . . 0.0 111.788 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.55 -43.57 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.75 0.704 . . . . 0.0 111.292 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -64.03 -46.95 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 111.853 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.25 -36.11 80.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.382 0.992 . . . . 0.0 112.258 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.76 78.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.281 0.946 . . . . 0.0 111.704 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -70.12 -44.09 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.9 0.773 . . . . 0.0 111.664 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.95 -36.38 72.48 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.09 0.956 . . . . 0.0 113.165 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.09 -23.47 66.52 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.587 1.155 . . . . 0.0 113.951 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.14 -52.53 5.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.169 0.988 . . . . 0.0 111.005 171.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -151.06 141.34 14.5 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.859 1.664 . . . . 0.0 110.182 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.48 64.15 7.98 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.769 2.979 . . . . 0.0 111.127 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -144.33 156.27 44.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.718 1.607 . . . . 0.0 112.295 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.68 131.5 92.8 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 110.437 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.16 -19.85 56.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.501 2.801 . . . . 0.0 114.409 -172.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -120.67 -33.51 3.79 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.045 0.938 . . . . 0.0 113.258 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -96.1 -27.01 15.28 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.061 0.944 . . . . 0.0 112.956 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 66.74 16.03 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.532 2.333 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -61.75 154.82 24.51 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.582 1.153 . . . . 0.0 111.324 160.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpt -56.9 133.27 54.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.414 1.086 . . . . 0.0 110.716 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.11 114.26 4.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.895 0.878 . . . . 0.0 111.118 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.0 m -105.77 152.2 23.51 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.683 1.593 . . . . 0.0 109.705 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.31 -23.04 62.13 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 p -70.28 -17.28 63.1 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.323 1.449 . . . . 0.0 114.084 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.5 mtt -84.75 -13.79 50.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.872 1.269 . . . . 0.0 113.024 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.91 152.21 25.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.596 1.558 . . . . 0.0 111.985 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -151.24 118.3 3.31 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.789 1.236 . . . . 0.0 109.682 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.97 131.65 22.83 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.056 1.837 . . . . 0.0 109.182 174.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.51 105.25 53.97 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 123.261 0.624 . . . . 0.0 111.385 -171.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.82 -31.21 3.29 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.732 2.955 . . . . 0.0 113.563 -171.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.95 -26.29 68.76 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.345 0.975 . . . . 0.0 113.057 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.03 -44.28 16.83 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.804 -0.56 . . . . 0.0 111.483 169.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.08 -39.6 86.63 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.625 1.102 . . . . 0.0 113.004 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.04 -34.49 76.56 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.965 1.306 . . . . 0.0 112.309 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.99 -38.5 64.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.961 0.505 . . . . 0.0 112.321 172.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.97 -53.03 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.043 1.337 . . . . 0.0 111.095 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -65.69 -32.03 73.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.796 0.726 . . . . 0.0 112.357 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.3 78.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.674 0.789 . . . . 0.0 111.639 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -65.86 -42.33 90.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.68 0.792 . . . . 0.0 111.758 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mtp -60.76 -42.68 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.919 0.888 . . . . 0.0 111.578 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.08 -45.99 92.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.724 0.81 . . . . 0.0 112.001 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.64 -42.81 97.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.367 0.667 . . . . 0.0 112.388 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.41 -40.83 98.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.806 0.842 . . . . 0.0 112.811 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -72.81 -31.79 65.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.945 0.898 . . . . 0.0 112.253 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -72.9 -8.84 57.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.3 m -68.22 -11.06 58.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.05 -12.65 60.0 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.053 1.341 . . . . 0.0 112.637 -175.628 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 CA--C 1.54 0.782 0 N-CA-C 113.603 0.578 . . . . 0.0 113.603 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.84 60.44 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.373 0.987 . . . . 0.0 113.686 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 p -83.74 -9.3 58.92 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.718 1.607 . . . . 0.0 114.696 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.35 47.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 113.157 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.7 164.65 21.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.146 1.378 . . . . 0.0 112.709 177.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mm -82.66 145.14 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.524 1.13 . . . . 0.0 110.131 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.34 126.34 32.04 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.924 0.889 . . . . 0.0 111.316 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -108.14 17.23 22.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -65.91 -11.21 45.38 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.495 -1.378 . . . . 0.0 112.734 170.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -76.13 -6.2 50.12 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.018 2.127 . . . . 0.0 113.978 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 140.58 87.38 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -174.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 153.87 72.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.858 3.039 . . . . 0.0 111.625 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.71 -25.19 66.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.844 1.258 . . . . 0.0 114.342 -168.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.73 -19.48 65.14 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.481 1.113 . . . . 0.0 113.984 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -101.11 -9.59 21.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.75 1.62 . . . . 0.0 113.67 173.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -85.22 146.12 27.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.661 0.785 . . . . 0.0 111.867 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -78.19 145.84 69.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 122.909 0.484 . . . . 0.0 111.704 162.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -28.02 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.229 2.62 . . . . 0.0 113.305 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.59 -50.49 9.91 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 111.204 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.6 mmm -94.69 -14.54 24.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.94 1.296 . . . . 0.0 114.451 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.5 t0 57.02 49.99 12.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.194 2.198 . . . . 0.0 113.604 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -149.41 172.56 14.74 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.987 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 121.18 11.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.09 0.956 . . . . 0.0 109.627 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -70.81 -43.05 69.44 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 m 73.31 -37.34 0.38 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.794 2.438 . . . . 0.0 113.054 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.9 79.69 8.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 127.011 2.124 . . . . 0.0 110.719 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.52 135.4 24.15 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.348 2.699 . . . . 0.0 110.826 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.6 t -134.39 128.23 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.955 1.702 . . . . 0.0 109.818 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -89.8 137.14 32.59 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.894 1.678 . . . . 0.0 111.565 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -89.48 161.75 38.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 110.66 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.8 -22.02 69.33 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.465 2.777 . . . . 0.0 113.423 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.4 p -70.42 -10.87 60.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.635 1.574 . . . . 0.0 114.519 171.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.66 -7.44 81.89 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 126.014 1.769 . . . . 0.0 114.262 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.4 m -66.81 149.33 50.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.764 1.626 . . . . 0.0 110.033 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -113.09 139.25 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.355 1.062 . . . . 0.0 110.232 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.8 tpp -135.03 167.68 20.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.298 1.839 . . . . 0.0 110.662 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.53 136.15 44.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.618 1.167 . . . . 0.0 111.871 169.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -48.27 -53.23 17.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.843 1.657 . . . . 0.0 113.032 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -69.63 -39.31 77.24 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.585 -172.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.11 -47.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.173 0.989 . . . . 0.0 111.653 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.87 -44.82 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.45 1.023 . . . . 0.0 112.053 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.91 -32.85 73.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.778 1.172 . . . . 0.0 112.361 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.11 -46.13 75.11 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.408 0.683 . . . . 0.0 110.691 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.64 -38.01 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.144 0.884 . . . . 0.0 112.24 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.7 -34.86 71.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.257 1.023 . . . . 0.0 112.652 172.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -27.58 68.57 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.363 1.065 . . . . 0.0 113.039 172.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -85.44 -47.84 9.57 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.225 1.01 . . . . 0.0 112.579 175.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 m -151.61 147.65 20.58 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.569 1.548 . . . . 0.0 110.919 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.02 54.36 5.13 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.364 3.376 . . . . 0.0 111.551 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 p -146.67 161.9 39.59 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.72 1.608 . . . . 0.0 112.433 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.26 137.76 75.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.595 1.158 . . . . 0.0 111.262 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.91 -29.56 67.27 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.645 2.896 . . . . 0.0 115.273 -175.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -112.04 -25.7 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.709 1.141 . . . . 0.0 113.928 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -101.47 -28.62 12.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.464 1.106 . . . . 0.0 112.315 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.48 20.1 10.9 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.841 2.056 . . . . 0.0 114.033 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -70.03 162.03 28.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.494 -0.754 . . . . 0.0 110.294 164.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.38 136.92 48.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.997 0.919 . . . . 0.0 110.923 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.52 142.33 18.95 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.687 1.195 . . . . 0.0 110.188 -173.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.6 m -144.28 153.77 42.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.539 1.936 . . . . 0.0 109.054 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -56.17 -32.06 63.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.277 1.031 . . . . 0.0 112.621 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -16.97 64.14 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.365 1.466 . . . . 0.0 113.896 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.5 mtt -87.55 -10.38 51.78 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.578 1.151 . . . . 0.0 113.293 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.23 153.43 24.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.219 1.408 . . . . 0.0 112.665 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -156.09 124.64 2.95 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.065 1.346 . . . . 0.0 110.095 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.83 140.27 35.0 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.247 2.631 . . . . 0.0 111.497 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.6 t -90.67 119.79 68.96 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.032 0.933 . . . . 0.0 111.268 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.02 -37.74 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.053 2.502 . . . . 0.0 112.836 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.17 -32.43 73.86 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.911 1.232 . . . . 0.0 112.554 -175.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.69 -44.98 26.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.742 0.817 . . . . 0.0 111.433 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -59.96 -42.4 94.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.644 1.111 . . . . 0.0 112.855 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.37 -35.51 81.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.962 1.305 . . . . 0.0 112.069 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.65 -40.44 66.37 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.794 -0.566 . . . . 0.0 112.389 173.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.14 -49.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.669 1.188 . . . . 0.0 111.602 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -32.61 74.34 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.686 0.675 . . . . 0.0 112.216 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.64 82.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.361 0.664 . . . . 0.0 111.564 172.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.5 -43.18 90.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.564 -0.71 . . . . 0.0 112.442 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.85 -39.65 85.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.14 0.882 . . . . 0.0 111.389 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -67.76 -39.89 84.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.699 0.8 . . . . 0.0 112.205 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.9 -28.92 70.16 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.283 0.947 . . . . 0.0 112.686 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.14 -21.27 59.94 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.543 -1.348 . . . . 0.0 113.42 171.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -88.21 -47.53 8.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.617 1.167 . . . . 0.0 111.864 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.7 p -166.7 -139.86 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.352 1.461 . . . . 0.0 111.604 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m 73.03 -37.86 0.4 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.077 2.551 . . . . 0.0 114.122 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -88.22 125.82 34.83 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 167.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.217 -173.813 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -59.69 -18.9 46.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.842 1.257 . . . . 0.0 113.74 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.96 -5.96 55.1 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.941 1.697 . . . . 0.0 113.538 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 141.91 98.3 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 121.113 -0.992 . . . . 0.0 112.845 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.55 157.68 58.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 123.735 2.957 . . . . 0.0 111.453 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.74 -21.45 65.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.719 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.79 -17.09 57.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.562 1.145 . . . . 0.0 113.634 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -95.14 -20.97 18.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.02 1.328 . . . . 0.0 112.386 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -90.87 144.08 26.06 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.028 0.831 . . . . 0.0 113.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.4 153.15 79.03 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.14 1.376 . . . . 0.0 112.152 170.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.57 -32.25 0.67 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.286 2.658 . . . . 0.0 113.554 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.01 -52.03 8.78 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.027 0.83 . . . . 0.0 111.058 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.3 mmm -89.03 -11.8 43.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.549 1.54 . . . . 0.0 113.86 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 58.56 37.05 25.48 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.755 2.022 . . . . 0.0 113.423 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -142.83 172.01 13.27 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.034 1.334 . . . . 0.0 111.516 -176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.07 118.43 9.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 109.294 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -66.7 -39.58 88.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m 71.7 -35.49 0.33 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.335 2.654 . . . . 0.0 112.62 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.64 83.67 14.17 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 126.982 2.113 . . . . 0.0 110.436 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.76 135.39 23.6 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.345 2.697 . . . . 0.0 110.415 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.41 127.92 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.585 1.554 . . . . 0.0 109.277 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -89.88 137.47 32.31 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.954 1.302 . . . . 0.0 111.551 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -95.72 164.93 17.64 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 126.942 2.097 . . . . 0.0 110.804 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.5 -21.88 59.57 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.77 2.98 . . . . 0.0 113.115 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.6 p -69.82 -11.05 60.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.28 1.432 . . . . 0.0 114.095 170.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 -8.57 79.54 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.041 1.781 . . . . 0.0 113.933 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -68.18 145.86 53.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.102 1.761 . . . . 0.0 110.044 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.08 135.08 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.292 1.037 . . . . 0.0 109.334 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.5 tpp -135.96 165.4 25.75 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.829 1.652 . . . . 0.0 110.44 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.06 137.72 47.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 111.613 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -52.29 -48.84 65.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.606 1.562 . . . . 0.0 113.11 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -70.79 -39.48 73.12 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.341 -0.849 . . . . 0.0 112.553 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -64.76 -44.03 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.299 0.954 . . . . 0.0 111.903 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.93 -44.62 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.251 0.932 . . . . 0.0 111.838 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.31 -28.74 66.53 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.149 0.886 . . . . 0.0 112.942 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -68.72 -37.06 79.2 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.355 0.662 . . . . 0.0 111.369 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -72.58 -36.25 68.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 113.186 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 mt -54.93 -34.67 63.4 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.84 -31.83 73.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 113.117 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.48 -44.63 17.14 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.017 0.927 . . . . 0.0 112.421 175.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.9 p -163.07 151.48 11.89 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.928 1.291 . . . . 0.0 110.712 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.04 59.4 6.5 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.326 3.351 . . . . 0.0 111.513 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 p -149.58 163.71 37.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.221 1.408 . . . . 0.0 113.258 -168.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.05 137.78 97.21 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 126.29 1.836 . . . . 0.0 113.204 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.51 -17.77 33.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.939 3.092 . . . . 0.0 116.398 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -122.6 7.86 9.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.736 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.0 -27.4 0.13 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.767 1.227 . . . . 0.0 114.066 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.272 57.0 mtp180 61.25 28.93 18.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.952 2.101 . . . . 0.0 115.069 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.08 156.11 36.96 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.709 -0.619 . . . . 0.0 109.675 156.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.1 mmm -60.87 143.45 54.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.511 0.724 . . . . 0.0 112.5 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -155.52 136.71 13.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.709 1.604 . . . . 0.0 110.424 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.4 m -133.31 152.64 51.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.569 1.948 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.91 -29.1 62.74 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.306 1.043 . . . . 0.0 113.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p -69.98 -14.82 62.88 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.934 1.294 . . . . 0.0 113.985 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.3 mtt -90.79 -10.11 44.06 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.351 1.46 . . . . 0.0 113.281 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -86.41 150.94 23.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.793 1.637 . . . . 0.0 112.172 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -149.5 118.62 3.85 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 124.622 1.169 . . . . 0.0 110.324 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.83 139.76 89.85 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.111 3.207 . . . . 0.0 112.83 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.85 115.58 64.86 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.713 1.205 . . . . 0.0 110.271 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.6 -40.5 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.53 2.153 . . . . 0.0 112.839 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.37 -19.98 65.5 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -91.42 -45.68 8.42 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.052 0.941 . . . . 0.0 111.713 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.61 -40.12 93.7 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.568 1.076 . . . . 0.0 113.007 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.95 -31.73 70.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.173 0.989 . . . . 0.0 112.331 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.48 -41.65 62.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.627 0.649 . . . . 0.0 112.089 172.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.4 -48.51 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.736 1.214 . . . . 0.0 111.731 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.96 -32.15 73.2 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.1 76.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.547 0.739 . . . . 0.0 111.539 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -64.93 -47.9 76.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.825 0.85 . . . . 0.0 111.918 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.6 mtm -58.24 -34.27 70.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.611 0.765 . . . . 0.0 112.726 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -60.19 -44.85 94.76 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.721 0.691 . . . . 0.0 111.336 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 123.489 0.716 . . . . 0.0 112.787 177.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -61.25 -23.56 65.74 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.659 -1.276 . . . . 0.0 113.337 175.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -84.04 -6.94 59.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.146 1.378 . . . . 0.0 114.186 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 137.18 97.03 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 119.614 1.097 . . . . 0.0 112.302 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.63 158.0 47.84 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 124.118 3.212 . . . . 0.0 111.317 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.92 -28.03 65.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 113.882 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.99 -15.56 61.54 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.4 -5.12 40.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.647 1.179 . . . . 0.0 112.776 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -103.63 154.1 19.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 112.99 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 142.54 62.89 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.177 0.591 . . . . 0.0 111.924 164.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.78 -25.78 8.83 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.42 2.746 . . . . 0.0 113.332 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.95 -52.89 8.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.77 0.828 . . . . 0.0 110.676 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 93.3 mmm -102.49 -13.33 17.27 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.78 5.89 5.29 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.793 2.437 . . . . 0.0 114.188 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.0 p -90.25 160.83 15.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.199 1.4 . . . . 0.0 111.581 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.67 112.78 6.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.613 0.765 . . . . 0.0 109.079 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -71.63 -40.03 70.01 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -166.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.285 4.7 t 55.04 -16.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 130.45 3.5 . . . . 0.0 116.967 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -117.86 73.54 9.12 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.785 2.034 . . . . 0.0 110.554 167.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.27 136.29 24.03 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.374 2.716 . . . . 0.0 110.173 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -134.39 134.49 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.807 1.643 . . . . 0.0 109.862 -174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -88.52 133.25 34.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.415 1.886 . . . . 0.0 110.379 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -98.93 157.8 33.47 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.051 2.141 . . . . 0.0 109.242 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.27 -25.2 49.94 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.045 2.496 . . . . 0.0 114.489 -166.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -77.57 0.64 22.26 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.04 4.59 68.83 Favored Glycine 0 N--CA 1.477 1.422 0 C-N-CA 125.357 1.456 . . . . 0.0 114.666 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 m -74.18 145.08 44.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.262 1.425 . . . . 0.0 109.521 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -106.39 137.41 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 109.596 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 tpp -137.68 164.16 29.52 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.329 1.852 . . . . 0.0 110.515 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.11 137.37 38.17 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.557 1.143 . . . . 0.0 111.191 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -54.33 -46.24 72.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.2 1.0 . . . . 0.0 112.897 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.37 -39.34 81.83 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.205 -0.934 . . . . 0.0 112.246 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.02 -44.39 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.439 -0.788 . . . . 0.0 111.74 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.06 -45.43 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.391 0.996 . . . . 0.0 111.518 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.37 -33.28 75.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.314 1.415 . . . . 0.0 112.592 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -64.1 -44.65 91.66 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.85 0.86 . . . . 0.0 111.042 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.56 -40.89 89.24 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.258 -0.901 . . . . 0.0 111.415 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.23 -36.17 77.12 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.441 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.31 -31.16 72.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.131 0.972 . . . . 0.0 112.444 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.65 -48.07 17.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 111.711 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 p -168.54 146.51 3.49 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.064 1.346 . . . . 0.0 111.378 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.74 64.73 8.73 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.046 3.164 . . . . 0.0 111.612 -173.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -141.23 158.05 44.42 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.47 1.508 . . . . 0.0 112.042 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.84 135.63 89.96 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 124.746 1.218 . . . . 0.0 111.571 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.98 -13.92 41.73 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.778 3.652 . . . . 0.0 115.251 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -130.64 -24.92 2.42 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -107.36 -19.64 13.52 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.39 1.076 . . . . 0.0 113.451 -173.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 64.76 11.1 6.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.041 2.136 . . . . 0.0 115.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.54 158.53 20.82 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.357 -0.839 . . . . 0.0 110.894 165.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -56.16 134.31 52.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.037 0.935 . . . . 0.0 110.743 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 131.81 10.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.095 0.958 . . . . 0.0 110.597 -173.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 61' ' ' SER . 1.3 t -148.52 177.86 9.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.947 . . . . 0.0 112.521 173.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.58 -25.97 54.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.171 1.789 . . . . 0.0 113.276 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.519 ' H ' HG23 ' A' ' 59' ' ' THR . 80.7 p -76.92 -15.22 59.74 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtt -96.84 -1.57 45.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.578 1.551 . . . . 0.0 113.025 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -90.54 152.51 20.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.894 1.678 . . . . 0.0 112.27 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -158.4 116.33 1.76 Allowed Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.428 1.491 . . . . 0.0 109.778 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -57.58 139.14 89.27 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.993 2.462 . . . . 0.0 113.242 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.35 115.59 65.0 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.732 1.213 . . . . 0.0 110.626 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.05 -35.19 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.007 2.471 . . . . 0.0 113.178 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.07 -19.47 64.88 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.11 -46.13 7.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.226 1.01 . . . . 0.0 111.693 169.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -55.86 -43.42 77.08 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.39 0.996 . . . . 0.0 112.677 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.79 -35.93 82.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.69 1.196 . . . . 0.0 112.426 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -73.42 -41.72 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.816 0.846 . . . . 0.0 112.05 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.63 -48.66 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.321 1.048 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.94 -32.49 74.02 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.66 0.663 . . . . 0.0 112.651 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.07 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.458 0.703 . . . . 0.0 111.66 173.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.98 -44.11 85.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.604 0.762 . . . . 0.0 112.113 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.81 -35.85 81.24 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.283 -0.886 . . . . 0.0 112.219 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.71 81.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.682 0.674 . . . . 0.0 112.1 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 123.957 0.903 . . . . 0.0 112.376 173.421 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -61.46 -15.06 33.85 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.451 -1.406 . . . . 0.0 113.638 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.48 -5.61 56.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.223 2.209 . . . . 0.0 113.538 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 142.4 96.87 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 120.75 -1.219 . . . . 0.0 113.213 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -69.54 156.26 64.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.985 2.457 . . . . 0.0 110.665 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.72 -25.74 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.69 -16.57 62.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.596 1.158 . . . . 0.0 113.928 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -91.57 -5.86 53.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.723 1.209 . . . . 0.0 113.106 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -104.32 145.55 30.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.83 134.15 34.27 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.981 168.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.97 -11.83 32.84 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.816 2.344 . . . . 0.0 115.763 -172.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -77.43 -55.21 5.58 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.318 1.417 . . . . 0.0 110.568 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.0 mmt -91.45 -13.59 32.02 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 66.7 15.26 10.08 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.014 2.126 . . . . 0.0 114.085 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -134.77 167.85 20.1 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.113 1.765 . . . . 0.0 111.703 -173.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.59 121.9 12.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.26 1.824 . . . . 0.0 111.463 -170.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -78.25 -38.96 41.65 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 p 67.36 -27.73 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 128.965 2.906 . . . . 0.0 115.03 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.71 80.53 40.28 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.193 1.797 . . . . 0.0 110.648 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.41 135.52 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.445 2.763 . . . . 0.0 111.043 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.81 134.04 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.33 1.852 . . . . 0.0 109.221 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.52 133.94 34.71 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.36 1.064 . . . . 0.0 110.715 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -82.94 163.71 49.83 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.01 1.724 . . . . 0.0 110.183 169.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.48 -21.96 59.61 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.375 2.716 . . . . 0.0 113.409 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 p -69.33 -12.15 61.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.839 1.656 . . . . 0.0 114.224 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.17 -6.61 82.5 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.021 1.772 . . . . 0.0 114.133 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -65.11 134.7 54.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.303 1.441 . . . . 0.0 110.499 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.56 137.54 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.455 1.102 . . . . 0.0 109.834 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.6 ttm -148.06 161.13 42.02 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.697 1.599 . . . . 0.0 110.876 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.3 134.48 46.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.726 . . . . 0.0 112.429 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -49.86 -54.75 17.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.039 1.736 . . . . 0.0 113.168 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.8 m -68.71 -36.23 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.311 0.645 . . . . 0.0 112.061 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.7 mt -70.14 -45.22 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.96 -1.087 . . . . 0.0 111.375 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -65.44 -41.07 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 120.222 1.374 . . . . 0.0 112.612 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.44 -32.73 71.85 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.68 1.127 . . . . 0.0 112.486 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -70.62 -34.54 72.21 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.6 0.636 . . . . 0.0 111.552 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -72.18 -39.43 68.66 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.735 0.698 . . . . 0.0 112.043 173.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.33 -36.61 68.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.588 1.155 . . . . 0.0 113.176 172.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.91 -30.25 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.197 0.999 . . . . 0.0 112.343 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.47 -50.77 7.45 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.423 1.089 . . . . 0.0 112.089 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.24 147.41 19.6 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.58 1.552 . . . . 0.0 111.909 -170.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -81.16 50.52 3.58 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.266 3.311 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -145.39 164.45 31.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.964 1.705 . . . . 0.0 112.593 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.27 132.84 87.71 Favored Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.147 2.179 . . . . 0.0 111.635 173.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -65.94 -18.71 57.78 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.604 3.536 . . . . 0.0 115.31 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -114.26 -43.42 3.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.481 1.112 . . . . 0.0 112.273 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -99.13 -22.67 15.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 -169.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 69.54 7.85 6.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 127.463 2.305 . . . . 0.0 114.585 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -58.8 151.93 20.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.755 1.222 . . . . 0.0 110.529 162.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.07 144.18 54.05 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.813 -0.555 . . . . 0.0 112.063 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.72 138.23 15.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.435 1.494 . . . . 0.0 110.341 -170.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.0 m -130.13 151.34 50.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.477 1.511 . . . . 0.0 110.163 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -40.83 64.24 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.158 1.383 . . . . 0.0 112.822 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -66.93 -13.12 61.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.863 1.265 . . . . 0.0 114.162 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mtt -91.97 -8.87 44.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.136 1.374 . . . . 0.0 112.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.81 150.25 24.68 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.231 1.412 . . . . 0.0 112.143 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -153.99 124.36 3.4 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.716 1.206 . . . . 0.0 110.808 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -56.25 141.54 88.3 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.75 2.966 . . . . 0.0 113.186 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 t -96.51 109.45 48.03 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.555 1.142 . . . . 0.0 110.643 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.49 -35.4 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.397 2.065 . . . . 0.0 112.435 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.63 -17.93 64.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt -94.79 -42.97 8.45 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.211 1.004 . . . . 0.0 111.685 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.78 -40.85 94.13 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.362 0.983 . . . . 0.0 112.409 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.39 -34.83 79.22 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.504 1.121 . . . . 0.0 112.132 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -73.34 -40.22 64.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.132 0.573 . . . . 0.0 112.328 174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mt -59.82 -51.25 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.061 0.944 . . . . 0.0 110.903 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.31 -32.25 73.55 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.45 79.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.406 0.682 . . . . 0.0 111.662 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -62.45 -46.9 86.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.367 0.667 . . . . 0.0 112.055 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.7 mtp -58.75 -40.0 82.57 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.84 0.746 . . . . 0.0 112.132 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.13 -39.38 89.81 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.526 0.73 . . . . 0.0 112.303 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.969 0.804 . . . . 0.0 112.01 172.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -60.37 -17.76 45.73 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.621 -1.3 . . . . 0.0 112.464 164.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.94 -8.62 54.38 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.34 1.856 . . . . 0.0 113.904 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 153.0 90.22 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 124.699 1.199 . . . . 0.0 113.063 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -67.54 157.65 60.79 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.803 3.002 . . . . 0.0 111.276 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.62 -24.26 65.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.06 -16.54 61.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.829 1.252 . . . . 0.0 114.131 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -97.28 -19.61 18.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.632 1.573 . . . . 0.0 112.592 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -99.92 127.68 46.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.188 0.995 . . . . 0.0 111.73 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.03 135.2 58.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.592 0.757 . . . . 0.0 110.182 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -73.65 -14.02 24.63 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.654 2.236 . . . . 0.0 115.653 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -91.65 -39.0 12.1 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.066 1.303 . . . . 0.0 110.867 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.3 ttt -67.46 -32.73 73.78 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.203 1.001 . . . . 0.0 113.247 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 73.78 -2.87 2.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.753 2.821 . . . . 0.0 113.751 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -144.83 -177.2 5.4 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.115 1.766 . . . . 0.0 110.966 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.16 122.69 14.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.294 1.437 . . . . 0.0 111.833 -172.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.43 -33.33 74.94 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 m 72.23 -42.27 0.53 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.913 2.485 . . . . 0.0 112.346 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.38 86.4 33.48 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.207 2.203 . . . . 0.0 110.519 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -73.16 135.85 23.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.829 3.02 . . . . 0.0 112.126 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.57 129.1 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.115 1.366 . . . . 0.0 110.089 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -89.39 140.61 29.34 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.801 1.64 . . . . 0.0 111.859 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.04 158.26 32.11 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.649 2.38 . . . . 0.0 109.552 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.03 -21.55 56.26 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.796 2.997 . . . . 0.0 113.307 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.0 p -68.86 -11.27 60.35 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.332 1.453 . . . . 0.0 114.567 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.2 74.11 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.363 1.459 . . . . 0.0 113.737 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -72.21 147.79 46.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.694 1.197 . . . . 0.0 109.74 173.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -119.04 133.63 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.716 1.206 . . . . 0.0 109.456 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 tpp -125.16 162.61 24.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.737 2.015 . . . . 0.0 111.758 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.42 133.0 50.37 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 163.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -52.08 -50.19 62.05 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.378 1.471 . . . . 0.0 113.716 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -69.37 -38.55 78.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.525 -0.734 . . . . 0.0 111.776 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.25 -44.37 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.026 -1.046 . . . . 0.0 111.311 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.69 -45.29 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.537 1.062 . . . . 0.0 111.387 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.85 -35.52 78.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.2 0.909 . . . . 0.0 112.158 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -35.53 80.19 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.728 0.695 . . . . 0.0 112.165 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -69.06 -46.15 68.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.921 0.782 . . . . 0.0 111.256 173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.94 -34.82 68.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.106 1.362 . . . . 0.0 113.285 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -33.22 66.78 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 113.129 172.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -89.59 -52.17 5.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.261 1.025 . . . . 0.0 112.164 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -149.29 139.98 13.82 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.61 1.564 . . . . 0.0 110.831 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.85 71.84 6.4 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.539 2.826 . . . . 0.0 110.705 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -143.77 156.44 44.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.556 1.542 . . . . 0.0 112.459 -173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -68.15 129.95 92.75 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.21 1.004 . . . . 0.0 110.75 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.57 -18.39 59.12 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.226 2.617 . . . . 0.0 115.194 -171.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -116.23 -36.66 3.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.479 1.112 . . . . 0.0 113.139 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -96.92 -24.8 15.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.724 1.21 . . . . 0.0 112.887 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 64.73 17.47 10.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.957 2.103 . . . . 0.0 114.354 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -63.95 163.11 12.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.563 0.745 . . . . 0.0 110.228 158.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.8 ttp -63.6 142.77 58.27 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.363 0.529 . . . . 0.0 111.311 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.87 112.87 3.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.461 1.505 . . . . 0.0 109.9 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 m -102.88 150.72 23.23 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.291 1.436 . . . . 0.0 110.503 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.24 -28.17 64.64 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.259 1.024 . . . . 0.0 113.572 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 -16.7 64.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.963 1.305 . . . . 0.0 113.564 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.1 mmt -91.05 -5.98 54.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.689 1.195 . . . . 0.0 113.526 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -81.86 149.82 28.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.075 1.35 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -156.01 118.0 2.27 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.741 1.216 . . . . 0.0 110.852 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -57.02 139.14 89.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.823 3.015 . . . . 0.0 112.32 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 69' ' ' LEU . 30.0 t -95.48 111.96 57.21 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.333 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -38.46 0.91 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.613 2.209 . . . . 0.0 112.153 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.08 -21.99 65.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' H ' HG12 ' A' ' 66' ' ' VAL . 72.7 mt -89.19 -45.87 9.23 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.799 0.84 . . . . 0.0 111.149 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -56.63 -43.78 80.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.081 1.31 . . . . 0.0 112.692 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.15 -32.83 73.37 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.196 0.998 . . . . 0.0 112.868 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -73.43 -41.54 63.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.997 0.519 . . . . 0.0 112.031 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -60.93 -50.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.094 1.358 . . . . 0.0 111.444 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.13 -32.02 73.44 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.65 68.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.66 0.784 . . . . 0.0 111.265 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.34 -43.03 98.91 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.734 -0.604 . . . . 0.0 111.909 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mtp -59.64 -41.12 89.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.72 0.808 . . . . 0.0 112.244 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -59.82 -47.07 87.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.524 0.602 . . . . 0.0 111.629 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.476 0.825 0 CA-C-N 119.124 0.875 . . . . 0.0 112.603 176.631 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.553 1.06 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 m -59.18 -23.34 62.16 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.843 -1.161 . . . . 0.0 113.763 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.24 -3.4 52.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.183 1.793 . . . . 0.0 114.059 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 144.2 97.57 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.018 -1.051 . . . . 0.0 112.716 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.49 155.23 55.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.516 2.811 . . . . 0.0 110.42 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.7 -24.73 67.81 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.78 -18.12 62.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.313 1.045 . . . . 0.0 113.814 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -96.92 -3.38 41.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.574 1.15 . . . . 0.0 113.205 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.35 143.59 35.42 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.266 1.026 . . . . 0.0 111.705 -172.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.06 134.81 23.27 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.284 1.034 . . . . 0.0 110.194 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -72.49 -14.17 27.71 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.451 2.767 . . . . 0.0 115.54 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.6 tm? -83.78 -45.78 12.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.943 1.247 . . . . 0.0 109.134 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.4 ttt -66.54 -33.61 76.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.963 1.305 . . . . 0.0 113.831 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 74.84 2.98 4.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.579 2.751 . . . . 0.0 113.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -151.66 -177.36 6.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.65 1.98 . . . . 0.0 111.025 -174.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.58 8.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.097 1.759 . . . . 0.0 111.185 -173.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -68.77 -35.0 76.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 75.39 -40.78 0.43 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.685 2.394 . . . . 0.0 112.155 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -119.71 84.57 31.25 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.921 2.088 . . . . 0.0 110.595 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.56 134.57 24.53 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.874 2.383 . . . . 0.0 111.341 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.92 130.69 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.805 1.642 . . . . 0.0 109.682 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.78 140.84 29.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.254 1.022 . . . . 0.0 111.693 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.73 162.87 32.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.996 2.118 . . . . 0.0 111.147 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.68 -22.6 69.95 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.307 2.671 . . . . 0.0 113.077 174.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 p -72.6 -8.68 56.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.031 1.333 . . . . 0.0 114.029 172.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.47 -9.5 77.08 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.004 1.764 . . . . 0.0 113.875 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.5 m -68.42 144.34 54.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.005 1.722 . . . . 0.0 110.635 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -102.48 140.96 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.707 1.203 . . . . 0.0 109.84 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.3 ttm -144.18 162.86 35.25 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.266 1.827 . . . . 0.0 111.354 -175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.41 131.79 45.33 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.345 0.658 . . . . 0.0 112.092 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -49.25 -55.67 11.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.261 1.824 . . . . 0.0 113.167 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -68.48 -36.26 78.71 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.252 -0.905 . . . . 0.0 112.324 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.97 -42.64 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.153 0.981 . . . . 0.0 111.858 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.1 -43.67 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 120.432 1.469 . . . . 0.0 112.26 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.5 -33.32 73.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.506 1.048 . . . . 0.0 112.277 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -64.95 -43.29 93.19 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.842 0.857 . . . . 0.0 110.639 172.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -68.4 -41.35 80.59 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.587 -0.696 . . . . 0.0 111.946 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.49 -35.87 72.89 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.583 1.153 . . . . 0.0 113.388 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.39 -26.28 68.39 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.974 0.909 . . . . 0.0 112.753 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.65 -48.23 7.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.602 1.161 . . . . 0.0 112.418 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -151.55 145.08 17.52 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.514 1.526 . . . . 0.0 111.509 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.39 57.11 6.32 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.249 3.299 . . . . 0.0 111.368 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 p -147.7 162.47 39.1 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.839 1.656 . . . . 0.0 112.443 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.78 135.11 85.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.203 1.801 . . . . 0.0 112.064 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.59 -23.36 64.04 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.634 2.89 . . . . 0.0 115.764 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 19' ' ' LEU . 91.1 m-85 -105.33 -42.92 5.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.696 1.199 . . . . 0.0 112.598 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -103.37 -24.26 13.5 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 113.271 -170.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 68.79 15.42 8.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.429 1.892 . . . . 0.0 114.38 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.32 158.83 34.27 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.316 0.646 . . . . 0.0 110.9 161.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -64.0 142.29 58.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.914 0.886 . . . . 0.0 112.591 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.5 140.88 17.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.667 1.587 . . . . 0.0 108.936 -172.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.6 p -134.03 152.3 51.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.537 1.135 . . . . 0.0 112.505 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.56 -28.82 65.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 113.93 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.65 -18.19 63.56 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.868 1.267 . . . . 0.0 113.462 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.8 mmt -98.95 -3.33 35.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.385 1.474 . . . . 0.0 113.538 -175.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.58 149.21 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.11 1.364 . . . . 0.0 111.903 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -157.84 131.45 4.8 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.495 1.518 . . . . 0.0 110.153 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.17 140.97 42.39 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.813 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.39 114.83 62.49 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 123.794 0.837 . . . . 0.0 110.953 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.35 -38.65 0.7 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.804 2.336 . . . . 0.0 113.095 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.19 -20.56 64.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.78 -45.59 8.33 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.394 1.078 . . . . 0.0 111.22 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -61.29 -37.81 84.55 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.764 1.165 . . . . 0.0 112.832 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.21 -34.94 77.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.685 1.194 . . . . 0.0 112.348 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -72.95 -40.24 65.52 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.488 -0.758 . . . . 0.0 111.744 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.57 -49.84 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.61 1.564 . . . . 0.0 111.536 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -31.61 72.29 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.696 0.68 . . . . 0.0 112.519 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.88 76.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.543 0.737 . . . . 0.0 111.846 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.63 -45.51 82.78 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.314 0.646 . . . . 0.0 112.317 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.2 mtm -58.73 -35.6 72.96 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.364 -0.835 . . . . 0.0 112.571 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -61.98 -38.31 88.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.608 0.763 . . . . 0.0 111.918 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 CA--C 1.544 0.746 0 CA-C-N 118.796 0.725 . . . . 0.0 112.608 175.237 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -64.87 -17.02 63.93 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.374 -1.454 . . . . 0.0 112.897 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.39 -8.49 54.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.37 1.868 . . . . 0.0 113.612 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 147.62 78.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 124.47 1.108 . . . . 0.0 113.044 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.16 157.33 57.7 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.954 3.103 . . . . 0.0 111.138 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -57.84 -28.74 64.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.545 1.138 . . . . 0.0 113.595 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.13 -16.8 61.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.605 1.162 . . . . 0.0 114.044 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -98.53 -5.22 32.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.613 1.165 . . . . 0.0 112.889 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -108.04 148.28 29.98 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.925 0.89 . . . . 0.0 112.9 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.2 162.28 64.73 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.682 173.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -91.92 -3.55 4.05 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.199 3.266 . . . . 0.0 116.176 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 tp -132.9 -53.04 0.92 Allowed 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 120.487 1.494 . . . . 0.0 113.566 -167.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.12 -25.46 62.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.606 1.563 . . . . 0.0 111.999 168.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 t0 59.38 55.46 4.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.973 2.509 . . . . 0.0 113.294 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 t -150.23 -178.43 6.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.956 1.702 . . . . 0.0 109.867 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.07 121.6 13.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.646 1.178 . . . . 0.0 109.437 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -72.56 -35.5 68.0 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 m 71.5 -31.7 0.23 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.016 2.527 . . . . 0.0 113.496 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -127.26 81.89 69.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 127.393 2.277 . . . . 0.0 110.188 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.17 136.07 26.17 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.186 2.59 . . . . 0.0 111.296 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -127.61 136.17 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.339 1.456 . . . . 0.0 110.45 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -88.18 125.84 34.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.475 2.31 . . . . 0.0 109.707 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -90.96 161.35 35.76 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.638 1.575 . . . . 0.0 109.747 168.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.14 -22.09 67.51 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 123.105 2.537 . . . . 0.0 114.044 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -73.7 -9.06 58.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.293 1.437 . . . . 0.0 114.21 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.89 1.4 79.96 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.781 1.658 . . . . 0.0 113.72 -172.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.6 m -69.12 140.07 54.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.928 1.291 . . . . 0.0 109.949 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.75 135.82 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.526 1.13 . . . . 0.0 109.514 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.2 ttm -142.25 160.9 39.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.061 1.744 . . . . 0.0 111.631 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -74.49 127.81 33.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.107 1.363 . . . . 0.0 110.746 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -48.61 -43.47 36.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 112.778 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -69.04 -31.17 69.76 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.471 -0.768 . . . . 0.0 112.352 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.59 -43.8 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.341 -0.849 . . . . 0.0 110.427 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.34 -40.38 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.796 0.725 . . . . 0.0 112.003 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.61 -37.25 79.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.395 0.998 . . . . 0.0 112.189 175.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -59.27 -42.87 92.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.352 0.661 . . . . 0.0 110.428 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -71.84 -41.66 67.88 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.72 -36.68 72.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.424 1.09 . . . . 0.0 112.989 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.06 -20.99 65.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.312 1.045 . . . . 0.0 113.316 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.17 -47.84 6.75 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.702 1.201 . . . . 0.0 112.115 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -154.69 150.75 22.18 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.534 1.534 . . . . 0.0 112.094 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.25 56.99 6.26 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.197 3.265 . . . . 0.0 111.512 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 p -140.68 158.42 44.0 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.158 1.783 . . . . 0.0 112.384 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.58 133.37 86.86 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.682 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.42 -20.17 54.79 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.619 2.879 . . . . 0.0 115.533 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -122.56 -34.07 3.31 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 113.212 -172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -95.81 -25.25 16.11 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.626 1.17 . . . . 0.0 112.744 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 65.13 16.63 10.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.021 2.128 . . . . 0.0 113.667 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.51 162.89 14.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.418 0.687 . . . . 0.0 110.637 159.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ttt -63.83 141.61 58.71 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.716 -0.615 . . . . 0.0 110.95 166.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -153.29 132.21 12.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.721 1.609 . . . . 0.0 109.428 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -127.14 152.93 46.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.204 1.402 . . . . 0.0 108.995 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.47 -22.85 35.09 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -64.66 -21.46 66.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.118 1.367 . . . . 0.0 113.871 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -91.76 -5.83 52.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.106 1.362 . . . . 0.0 112.683 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.73 153.91 20.34 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.925 1.29 . . . . 0.0 112.172 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.81 131.97 5.46 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.744 1.617 . . . . 0.0 109.1 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.85 142.68 39.63 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.134 2.556 . . . . 0.0 110.986 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.97 110.65 47.24 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 124.155 0.982 . . . . 0.0 110.719 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 -34.93 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.58 -44.44 8.21 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.982 0.913 . . . . 0.0 111.329 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -60.23 -37.88 81.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.441 1.019 . . . . 0.0 112.643 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.07 -35.25 79.41 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.427 1.091 . . . . 0.0 112.362 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.97 -42.19 63.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.109 0.564 . . . . 0.0 111.603 173.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.0 mt -60.58 -49.31 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.45 -33.01 74.94 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.031 0.832 . . . . 0.0 112.343 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.9 79.48 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.267 0.627 . . . . 0.0 111.494 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -65.59 -44.38 86.83 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.524 -0.735 . . . . 0.0 111.858 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.32 -43.25 99.18 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.645 0.778 . . . . 0.0 111.629 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -56.59 -47.65 79.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.867 0.758 . . . . 0.0 111.346 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 177.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -61.46 -17.31 53.87 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.354 -1.466 . . . . 0.0 112.987 171.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -75.3 -9.03 58.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.021 1.728 . . . . 0.0 113.724 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.07 142.55 98.22 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.825 0.85 . . . . 0.0 112.327 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -70.94 157.12 58.94 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.711 2.941 . . . . 0.0 111.585 177.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.42 -26.11 66.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.568 1.147 . . . . 0.0 114.016 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.45 -15.79 62.35 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.44 1.096 . . . . 0.0 113.945 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -100.52 -0.55 37.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.161 1.384 . . . . 0.0 112.518 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -116.01 145.8 42.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.013 1.325 . . . . 0.0 112.166 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -95.28 135.06 23.61 Favored Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 123.862 0.865 . . . . 0.0 110.931 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.92 -11.35 29.21 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.544 2.163 . . . . 0.0 115.497 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.21 -58.93 2.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.874 1.67 . . . . 0.0 109.915 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.4 mmt -85.55 -16.67 38.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.88 24.88 14.79 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 113.622 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -140.84 169.99 16.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.76 1.624 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 120.14 10.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.543 1.537 . . . . 0.0 111.013 -170.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -77.54 -27.46 51.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -171.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.5 p 57.18 -20.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.229 3.412 . . . . 0.0 117.294 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -128.62 77.19 77.8 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.339 2.255 . . . . 0.0 109.733 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.79 135.0 27.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.264 2.643 . . . . 0.0 110.374 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -131.34 133.82 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.142 1.777 . . . . 0.0 109.796 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -88.8 133.57 34.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.0 mt -94.02 160.31 32.56 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.755 2.022 . . . . 0.0 110.345 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.4 -21.55 60.67 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.215 2.61 . . . . 0.0 113.514 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -70.04 -10.48 58.83 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.994 1.317 . . . . 0.0 114.286 170.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.42 -6.23 82.39 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.9 1.714 . . . . 0.0 113.628 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -68.84 143.9 54.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.714 1.606 . . . . 0.0 110.103 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.5 137.31 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.451 1.101 . . . . 0.0 109.742 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 tpp -133.74 157.62 45.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.016 2.126 . . . . 0.0 110.453 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -71.3 125.44 26.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 110.078 167.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -43.57 -50.79 7.16 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.785 1.634 . . . . 0.0 113.236 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -70.29 -30.35 67.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 -173.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.27 -41.45 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.799 0.839 . . . . 0.0 110.664 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.12 -44.19 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.488 1.04 . . . . 0.0 111.953 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.5 -31.61 72.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.677 1.126 . . . . 0.0 112.699 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -68.11 -33.52 74.67 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.324 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -75.77 -43.05 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.477 -0.764 . . . . 0.0 111.779 172.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.87 -35.89 73.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.518 1.127 . . . . 0.0 113.353 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.3 tp -55.69 -32.49 63.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 112.994 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.47 -50.46 5.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.391 1.077 . . . . 0.0 112.231 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -151.11 147.78 21.32 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.973 1.309 . . . . 0.0 112.046 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -80.51 59.63 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.043 3.162 . . . . 0.0 111.039 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -141.26 153.32 45.16 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.595 1.158 . . . . 0.0 113.68 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 140.16 94.48 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 125.269 1.428 . . . . 0.0 111.742 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.32 -18.56 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.663 2.909 . . . . 0.0 116.268 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -121.42 -23.47 5.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -174.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -120.92 -24.68 5.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 0.0 112.933 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 67.05 22.61 9.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.049 1.74 . . . . 0.0 113.645 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.75 166.92 6.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.187 0.595 . . . . 0.0 110.541 159.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tpt -58.18 137.86 56.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.282 1.033 . . . . 0.0 111.526 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 139.61 15.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 109.657 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 m -140.81 153.06 45.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.191 1.396 . . . . 0.0 109.815 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.83 -23.14 60.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 p -74.11 -15.28 61.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.087 1.355 . . . . 0.0 113.837 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.6 mtt -86.37 -10.35 54.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.184 1.394 . . . . 0.0 113.314 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.33 151.91 23.67 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.898 1.679 . . . . 0.0 112.549 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -155.88 123.27 2.76 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.114 1.366 . . . . 0.0 110.169 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.2 139.46 90.08 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.825 3.017 . . . . 0.0 113.133 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -90.99 113.58 58.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.769 1.227 . . . . 0.0 110.332 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -76.28 -39.53 0.81 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.622 2.215 . . . . 0.0 112.28 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.98 -20.27 65.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -92.06 -45.27 8.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.939 0.896 . . . . 0.0 111.53 170.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.15 -40.03 94.61 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.717 1.144 . . . . 0.0 112.48 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -67.29 -32.1 72.86 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.393 1.077 . . . . 0.0 112.536 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -73.01 -41.77 63.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.651 0.659 . . . . 0.0 112.532 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.75 -46.87 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.684 1.193 . . . . 0.0 111.947 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.64 -32.68 74.38 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.95 71.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.612 0.765 . . . . 0.0 111.7 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -64.88 -47.04 79.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.033 0.933 . . . . 0.0 112.22 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.0 mtm -58.8 -40.18 83.33 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.982 0.81 . . . . 0.0 111.662 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -64.59 -41.92 95.92 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.126 0.57 . . . . 0.0 112.009 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.929 0.786 . . . . 0.0 112.663 176.482 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 CA--C 1.55 0.961 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -62.39 -21.35 65.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.491 -1.381 . . . . 0.0 113.539 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -79.02 -4.93 52.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.756 1.622 . . . . 0.0 114.553 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 134.65 91.49 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-N 119.186 0.903 . . . . 0.0 112.272 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -70.08 157.19 60.56 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.524 2.816 . . . . 0.0 110.902 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.65 -28.73 67.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.88 -15.38 62.62 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -92.81 -9.25 41.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.347 1.059 . . . . 0.0 112.873 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -102.12 148.63 25.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.846 1.258 . . . . 0.0 112.208 -173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -100.61 134.2 20.75 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.041 0.936 . . . . 0.0 110.71 167.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -69.55 -10.78 29.6 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.913 2.409 . . . . 0.0 116.162 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.95 -48.82 13.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.094 1.77 . . . . 0.0 111.375 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.42 -19.24 31.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.7 t70 67.7 13.85 9.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.372 2.269 . . . . 0.0 113.617 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t -146.79 -179.61 6.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.04 1.736 . . . . 0.0 110.971 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 120.19 7.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.409 1.884 . . . . 0.0 112.397 -168.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -73.47 -34.59 65.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m 71.87 -39.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.293 2.637 . . . . 0.0 112.7 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -118.64 84.13 23.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.545 2.338 . . . . 0.0 110.808 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.11 135.13 22.41 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.56 2.84 . . . . 0.0 111.952 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.74 129.45 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.233 1.813 . . . . 0.0 109.828 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -90.1 135.82 33.42 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.938 2.095 . . . . 0.0 112.06 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.18 160.8 24.87 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.885 2.074 . . . . 0.0 110.143 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -69.31 -21.35 35.71 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.865 3.043 . . . . 0.0 113.251 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 p -66.58 -11.57 53.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.477 1.511 . . . . 0.0 113.785 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.94 76.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.756 1.646 . . . . 0.0 113.822 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -65.94 141.88 58.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.477 1.511 . . . . 0.0 110.078 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -110.77 136.62 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.484 1.113 . . . . 0.0 108.986 168.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.3 ttm -138.68 159.64 41.6 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.456 1.902 . . . . 0.0 110.914 -170.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.79 125.34 25.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.601 1.16 . . . . 0.0 110.949 171.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -46.69 -54.22 10.08 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.295 1.838 . . . . 0.0 112.568 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 m -69.35 -36.14 76.58 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.555 -0.716 . . . . 0.0 111.376 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.15 -47.57 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.58 0.627 . . . . 0.0 110.77 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.17 -43.91 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.525 1.057 . . . . 0.0 112.367 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.47 -33.39 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.82 1.191 . . . . 0.0 112.249 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.97 -44.36 92.96 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.662 0.665 . . . . 0.0 110.364 172.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -66.2 -41.39 90.27 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.677 -0.639 . . . . 0.0 112.038 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -35.6 71.7 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.041 0.936 . . . . 0.0 113.521 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.7 -22.07 66.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.872 0.869 . . . . 0.0 113.339 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.48 -50.4 5.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.546 1.138 . . . . 0.0 112.108 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.2 m -150.26 143.36 16.47 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.373 1.469 . . . . 0.0 111.725 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -79.97 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.04 3.16 . . . . 0.0 110.965 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -143.79 158.8 43.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.491 1.516 . . . . 0.0 112.622 -169.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.17 126.5 91.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.808 1.243 . . . . 0.0 110.411 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -60.98 -24.71 80.13 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.851 3.034 . . . . 0.0 115.328 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.12 -42.65 5.03 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.168 0.987 . . . . 0.0 112.881 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -93.87 -26.14 17.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.0 0.92 . . . . 0.0 112.661 -172.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 75.65 4.93 3.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.998 2.519 . . . . 0.0 114.373 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -62.32 160.91 12.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.751 0.705 . . . . 0.0 110.778 166.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 90.2 mtp -69.32 148.9 49.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.3 0.572 . . . . 0.0 111.678 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -161.8 137.65 7.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.789 1.636 . . . . 0.0 108.469 -170.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.9 p -130.49 163.2 27.53 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.776 1.23 . . . . 0.0 112.748 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.84 -27.23 50.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.465 1.506 . . . . 0.0 114.164 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -75.42 -13.61 60.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.856 1.262 . . . . 0.0 113.832 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.0 mtt -92.47 -7.15 48.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.339 1.456 . . . . 0.0 113.303 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.86 154.04 21.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.255 1.422 . . . . 0.0 112.559 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -161.56 126.71 2.17 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.429 1.492 . . . . 0.0 110.001 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -71.68 141.62 38.12 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.028 2.485 . . . . 0.0 111.776 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.55 117.86 67.78 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.631 0.772 . . . . 0.0 110.457 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.53 -39.86 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 113.247 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.29 -33.26 75.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.975 0.807 . . . . 0.0 112.439 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.19 -46.03 24.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.657 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.22 -42.24 98.27 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.981 1.264 . . . . 0.0 112.251 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.78 -34.75 78.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.464 1.105 . . . . 0.0 111.842 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.6 -42.08 64.92 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.711 -0.618 . . . . 0.0 112.435 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.69 -50.98 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.007 1.323 . . . . 0.0 111.472 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -64.32 -32.48 74.1 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.9 -45.07 79.12 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.404 0.682 . . . . 0.0 111.617 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.01 -39.87 87.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.85 0.86 . . . . 0.0 112.344 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.9 mtp -61.3 -40.34 93.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.916 0.887 . . . . 0.0 111.666 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -40.04 88.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.364 0.665 . . . . 0.0 111.504 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 124.035 0.934 . . . . 0.0 112.516 175.798 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.8 m -67.23 -17.91 65.01 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.428 -1.42 . . . . 0.0 112.213 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.87 -8.68 58.41 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.256 1.822 . . . . 0.0 113.596 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.25 143.92 94.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 121.051 -1.031 . . . . 0.0 111.93 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.57 156.93 57.11 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.475 2.783 . . . . 0.0 111.243 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.83 -20.4 65.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.346 1.059 . . . . 0.0 113.716 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -18.89 61.28 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.078 0.951 . . . . 0.0 113.406 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -97.34 -8.55 29.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 113.293 173.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -108.79 136.87 47.64 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.675 1.19 . . . . 0.0 112.098 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.97 138.31 49.71 Favored Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.407 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.15 -15.19 45.75 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.957 2.438 . . . . 0.0 116.146 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -84.3 -60.44 2.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.636 1.562 . . . . 0.0 110.896 172.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -87.4 -12.83 45.09 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 68.64 -1.62 1.91 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.967 2.507 . . . . 0.0 114.393 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -104.78 166.29 10.49 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.246 1.818 . . . . 0.0 111.862 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.63 118.9 8.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.626 1.57 . . . . 0.0 110.006 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -70.64 -31.2 68.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p 59.66 -29.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 130.075 3.35 . . . . 0.0 116.409 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.51 80.64 30.66 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 127.398 2.279 . . . . 0.0 109.6 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.82 134.81 22.45 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.128 2.552 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -131.38 132.5 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.411 1.484 . . . . 0.0 109.694 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -88.95 135.94 33.28 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.66 1.584 . . . . 0.0 110.736 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.2 161.23 33.55 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.863 2.065 . . . . 0.0 110.407 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.52 -22.28 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.425 2.75 . . . . 0.0 113.265 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -71.58 -8.52 54.52 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.258 1.423 . . . . 0.0 114.21 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -11.38 71.76 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.9 1.714 . . . . 0.0 113.877 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 m -67.52 146.6 53.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.417 1.887 . . . . 0.0 110.19 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.9 t -111.44 139.99 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.539 1.136 . . . . 0.0 110.079 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.6 tpp -140.61 162.97 34.11 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.987 2.115 . . . . 0.0 111.628 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.28 129.58 40.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.602 1.161 . . . . 0.0 112.16 172.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -49.85 -53.39 25.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.137 1.775 . . . . 0.0 113.803 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.15 -36.29 79.44 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.867 0.467 . . . . 0.0 111.602 -174.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -70.76 -45.16 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.706 0.803 . . . . 0.0 110.895 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.14 -46.04 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.402 1.001 . . . . 0.0 112.156 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.22 -32.72 73.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.277 0.944 . . . . 0.0 112.214 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.61 -34.57 74.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.869 0.758 . . . . 0.0 112.136 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -73.04 -35.61 66.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.157 0.89 . . . . 0.0 112.361 173.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.19 -35.42 73.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.388 0.994 . . . . 0.0 112.926 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.81 -19.59 64.29 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.996 0.918 . . . . 0.0 113.38 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -87.8 -43.32 11.94 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.831 1.252 . . . . 0.0 112.799 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -164.3 153.87 12.16 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.562 1.945 . . . . 0.0 111.006 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.25 58.45 6.64 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.328 3.352 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -147.96 158.5 44.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.766 1.627 . . . . 0.0 112.927 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.17 125.88 90.64 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 126.625 1.97 . . . . 0.0 111.579 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -59.35 -27.07 84.02 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.285 2.656 . . . . 0.0 115.319 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.16 -4.81 25.23 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -159.33 -17.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 74.99 25.56 1.37 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.353 1.861 . . . . 0.0 114.228 169.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -60.81 155.74 18.79 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.872 -0.518 . . . . 0.0 109.852 157.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -64.37 135.48 56.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 110.703 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.54 146.03 28.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.105 1.362 . . . . 0.0 109.977 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 m -144.89 154.07 42.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.963 1.705 . . . . 0.0 109.14 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.44 -23.51 57.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 p -74.28 -15.5 60.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.128 1.371 . . . . 0.0 113.798 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.3 mmt -86.87 -10.52 53.22 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.164 1.386 . . . . 0.0 112.928 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.29 154.33 21.33 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.399 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -156.38 125.32 3.03 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 109.971 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.67 138.48 35.01 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.429 2.086 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.3 t -91.0 117.25 67.78 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.608 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.7 -38.44 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.576 2.184 . . . . 0.0 113.031 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.34 -38.68 90.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.453 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.08 -44.03 61.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.593 -0.692 . . . . 0.0 111.519 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.05 -43.32 99.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.989 1.268 . . . . 0.0 112.268 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.66 -36.9 84.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.983 1.313 . . . . 0.0 111.861 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -73.04 -36.95 67.03 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.57 -0.706 . . . . 0.0 112.9 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.75 -48.82 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.538 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.79 -32.24 73.4 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.809 0.731 . . . . 0.0 112.332 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.03 86.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.754 0.706 . . . . 0.0 112.372 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -71.9 -48.07 48.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.784 0.834 . . . . 0.0 111.817 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 54.6 mtm -58.15 -33.27 69.01 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 113.411 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -54.82 -45.54 74.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.706 0.802 . . . . 0.0 111.325 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 CA--C 1.543 0.676 0 O-C-N 121.714 -0.616 . . . . 0.0 112.53 -178.136 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -60.56 -18.88 55.34 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.273 -1.517 . . . . 0.0 113.553 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -73.73 -8.65 56.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.369 1.468 . . . . 0.0 113.74 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 140.93 97.07 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.231 -0.918 . . . . 0.0 111.737 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.55 157.44 52.65 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.89 3.06 . . . . 0.0 111.439 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.97 -27.97 67.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.657 1.183 . . . . 0.0 113.367 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.16 -17.83 62.52 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -97.61 -0.5 45.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.937 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -117.4 148.92 41.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.449 1.1 . . . . 0.0 112.662 -171.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.24 149.48 65.92 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 123.764 0.825 . . . . 0.0 111.636 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.71 -37.73 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.062 2.508 . . . . 0.0 113.111 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.57 -43.76 18.25 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.185 0.994 . . . . 0.0 112.397 -172.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 97.5 mtp -90.67 -11.66 39.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t0 58.2 30.91 20.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.031 2.133 . . . . 0.0 114.411 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -126.24 164.02 21.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.865 1.266 . . . . 0.0 111.91 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.82 115.44 8.16 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.098 1.359 . . . . 0.0 108.345 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -72.37 -31.06 65.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -164.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 p 57.06 -19.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 129.911 3.285 . . . . 0.0 116.821 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -129.81 76.56 78.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.906 2.082 . . . . 0.0 110.463 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.8 135.8 26.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.728 2.952 . . . . 0.0 111.078 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -133.21 133.88 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.365 1.866 . . . . 0.0 109.55 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -90.38 142.76 27.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.72 162.0 32.43 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 127.709 2.403 . . . . 0.0 109.614 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.94 -22.39 42.23 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.538 2.826 . . . . 0.0 112.79 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 m -70.87 -6.66 39.88 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.63 79.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.066 1.793 . . . . 0.0 114.596 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -69.86 152.01 45.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.506 2.323 . . . . 0.0 111.739 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.8 142.31 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.714 1.206 . . . . 0.0 110.908 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 tpp -140.1 164.41 30.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.331 1.852 . . . . 0.0 111.432 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.3 137.5 53.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.386 1.074 . . . . 0.0 111.954 169.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -53.27 -47.96 68.69 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.791 1.236 . . . . 0.0 113.444 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -70.4 -39.48 74.47 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.703 -0.623 . . . . 0.0 112.626 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.06 -44.01 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.319 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -66.35 -43.16 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.162 0.892 . . . . 0.0 112.092 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.71 -33.75 72.93 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.807 1.185 . . . . 0.0 112.138 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -62.01 -41.91 98.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.98 0.912 . . . . 0.0 111.014 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -68.47 -42.88 78.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.137 0.426 . . . . 0.0 112.085 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.42 -34.61 77.1 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.83 -29.32 66.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.999 0.92 . . . . 0.0 112.572 171.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -88.88 -52.57 5.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.37 1.068 . . . . 0.0 112.33 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.0 m -150.81 141.17 14.44 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.315 1.446 . . . . 0.0 111.827 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -79.67 58.83 7.15 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 124.527 3.485 . . . . 0.0 111.593 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.7 p -141.7 160.49 40.08 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.162 2.185 . . . . 0.0 111.735 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.02 136.26 91.88 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 124.735 1.214 . . . . 0.0 111.721 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.95 -14.28 43.11 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.073 3.182 . . . . 0.0 115.358 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -129.46 -32.43 1.96 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -23.83 16.72 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.776 1.23 . . . . 0.0 112.276 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 67.12 10.98 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.147 2.179 . . . . 0.0 115.114 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.43 155.97 35.99 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.545 0.738 . . . . 0.0 110.035 164.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.93 141.63 57.9 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.336 0.516 . . . . 0.0 112.19 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -151.38 126.81 10.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.269 1.028 . . . . 0.0 110.758 -173.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -123.29 153.39 40.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.152 1.781 . . . . 0.0 109.651 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.73 -26.21 61.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 113.363 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 p -66.83 -16.57 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.947 1.299 . . . . 0.0 114.209 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mmt -87.66 -11.6 47.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.73 1.212 . . . . 0.0 113.43 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.2 mt -84.87 147.94 26.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.16 1.384 . . . . 0.0 112.43 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -160.58 131.73 3.86 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.531 1.533 . . . . 0.0 109.676 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.83 142.39 39.12 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.973 2.449 . . . . 0.0 111.481 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.89 113.96 62.49 Favored Pre-proline 0 N--CA 1.48 1.075 0 C-N-CA 124.569 1.148 . . . . 0.0 110.541 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.17 -37.54 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.895 2.396 . . . . 0.0 112.978 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.55 -33.97 76.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.61 1.096 . . . . 0.0 112.863 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -78.09 -41.15 36.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.566 0.746 . . . . 0.0 111.453 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.51 -41.41 98.51 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.249 1.386 . . . . 0.0 112.365 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.38 -31.39 70.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.63 1.172 . . . . 0.0 112.538 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -73.16 -42.23 63.01 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.618 0.645 . . . . 0.0 112.495 171.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.92 -49.38 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.79 1.236 . . . . 0.0 111.08 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.65 -32.98 74.88 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.487 -0.768 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.73 -44.12 74.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.304 0.956 . . . . 0.0 111.845 175.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.24 -44.12 92.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.275 0.63 . . . . 0.0 112.203 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.0 mtm -62.43 -39.31 92.9 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.427 -0.796 . . . . 0.0 112.021 172.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -61.12 -43.11 99.38 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 112.168 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.543 0.679 0 CA-C-N 119.204 0.911 . . . . 0.0 112.434 175.375 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -60.34 -21.38 62.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.96 1.304 . . . . 0.0 113.717 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -77.8 -6.54 54.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.301 1.44 . . . . 0.0 113.723 175.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.85 141.97 95.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 119.069 0.85 . . . . 0.0 112.492 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.62 158.23 51.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.708 2.938 . . . . 0.0 111.269 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.08 -16.9 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.59 -18.36 51.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.556 1.143 . . . . 0.0 113.689 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -99.6 -21.19 15.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.142 1.377 . . . . 0.0 112.696 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -92.57 131.99 37.23 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 111.257 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.35 137.42 55.97 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.18 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.85 -35.63 55.1 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.652 2.235 . . . . 0.0 114.601 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -85.5 -37.7 19.39 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.181 0.992 . . . . 0.0 111.229 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.87 -30.22 66.54 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.414 0.686 . . . . 0.0 112.647 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t0 55.77 37.09 28.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.551 2.34 . . . . 0.0 112.742 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -163.65 169.24 18.82 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.565 1.946 . . . . 0.0 110.498 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.46 120.31 10.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.571 1.548 . . . . 0.0 110.372 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -173.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 p 65.48 -26.12 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.131 2.972 . . . . 0.0 114.936 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.72 82.42 63.86 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.655 1.982 . . . . 0.0 110.371 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.01 135.06 22.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.873 3.049 . . . . 0.0 111.062 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.55 130.86 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.97 1.308 . . . . 0.0 110.107 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 ttp-105 -89.51 138.13 31.73 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.169 1.788 . . . . 0.0 111.356 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -100.78 162.32 21.05 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 126.06 1.744 . . . . 0.0 110.683 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.96 -22.48 55.53 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.162 2.575 . . . . 0.0 113.818 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.8 p -77.41 -0.77 27.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.319 1.447 . . . . 0.0 114.397 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.34 -3.4 85.4 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.45 1.5 . . . . 0.0 114.448 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -71.4 150.1 45.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.868 2.067 . . . . 0.0 111.006 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.3 t -128.42 126.77 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 109.76 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -130.62 166.87 19.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.799 1.64 . . . . 0.0 111.453 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.44 136.8 57.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.223 1.409 . . . . 0.0 112.685 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -52.19 -49.53 63.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.104 1.762 . . . . 0.0 113.189 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.9 m -69.64 -37.72 76.87 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.759 -0.588 . . . . 0.0 111.794 -176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.28 -44.68 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.57 -42.08 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.743 1.156 . . . . 0.0 112.407 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.8 -32.01 68.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.048 0.84 . . . . 0.0 112.442 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -66.47 -47.34 73.4 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.789 0.722 . . . . 0.0 110.815 172.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -63.02 -34.68 78.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.55 0.614 . . . . 0.0 112.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -55.54 -34.83 65.05 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.235 1.014 . . . . 0.0 113.49 172.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.41 -27.33 63.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.98 0.912 . . . . 0.0 112.73 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -78.03 -42.91 30.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.949 0.899 . . . . 0.0 111.702 174.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -167.53 154.14 7.73 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 126.564 1.946 . . . . 0.0 111.239 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.02 62.43 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.284 3.323 . . . . 0.0 110.802 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 p -145.31 158.9 43.73 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.857 1.663 . . . . 0.0 112.33 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -66.65 136.05 94.64 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 127.143 2.177 . . . . 0.0 111.261 172.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -20.1 50.73 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.783 2.989 . . . . 0.0 115.26 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -120.03 -38.46 2.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.261 0.937 . . . . 0.0 113.355 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -93.84 -23.22 18.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.304 0.641 . . . . 0.0 112.496 -174.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 63.44 15.23 8.59 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.195 2.198 . . . . 0.0 114.473 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -60.58 152.57 25.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.075 160.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 139.14 58.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.185 0.594 . . . . 0.0 111.801 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.78 135.91 13.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.804 1.241 . . . . 0.0 109.913 -167.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 p -128.75 157.57 41.06 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.757 1.623 . . . . 0.0 111.651 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.14 -24.12 62.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.657 1.583 . . . . 0.0 114.224 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -75.1 -16.49 60.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.964 1.306 . . . . 0.0 113.573 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.5 mmm -91.05 -6.42 53.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.015 1.326 . . . . 0.0 113.364 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.8 152.81 19.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.723 1.609 . . . . 0.0 112.282 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -160.27 132.85 4.46 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.254 1.422 . . . . 0.0 109.929 173.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 143.74 53.65 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.874 2.383 . . . . 0.0 111.56 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.8 t -93.52 111.63 53.17 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.141 0.976 . . . . 0.0 110.834 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.82 -35.71 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.625 2.217 . . . . 0.0 113.011 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.26 -30.72 71.21 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.99 0.814 . . . . 0.0 112.884 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -77.74 -43.79 29.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.741 0.7 . . . . 0.0 111.208 170.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.1 -40.49 97.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.174 0.897 . . . . 0.0 112.734 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.05 -33.09 73.92 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.516 1.126 . . . . 0.0 112.125 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.67 -41.91 62.04 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -58.96 -49.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -64.93 -32.44 74.15 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.85 79.73 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.683 0.674 . . . . 0.0 111.906 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -66.49 -42.72 87.01 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.354 0.661 . . . . 0.0 111.997 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.12 -38.75 83.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.278 1.031 . . . . 0.0 112.244 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -68.07 -43.63 78.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.574 1.15 . . . . 0.0 111.678 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 111.895 174.462 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -63.13 -13.96 42.9 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.117 -1.614 . . . . 0.0 113.657 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -76.87 -6.23 51.61 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.906 2.082 . . . . 0.0 114.023 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 146.06 83.67 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 121.037 -1.039 . . . . 0.0 113.333 -176.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.59 155.67 49.79 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.729 2.953 . . . . 0.0 111.108 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.83 -25.88 67.78 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.98 -18.3 62.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.452 1.101 . . . . 0.0 113.549 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -99.02 4.24 47.09 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.414 1.486 . . . . 0.0 112.853 173.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -121.65 150.64 41.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.146 0.885 . . . . 0.0 112.784 -169.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -82.71 146.67 53.47 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 123.962 0.905 . . . . 0.0 112.443 169.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.17 -28.86 1.78 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.088 2.525 . . . . 0.0 113.37 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.61 -47.9 20.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 111.043 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.9 mtt -100.07 -4.11 30.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.466 1.507 . . . . 0.0 113.599 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 67.66 11.29 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 128.226 2.611 . . . . 0.0 114.733 169.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -123.72 170.49 10.45 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.352 1.461 . . . . 0.0 112.317 -167.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.39 116.31 8.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.946 1.299 . . . . 0.0 109.413 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -74.78 -31.5 61.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -165.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 57.47 -23.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 130.221 3.408 . . . . 0.0 116.76 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -122.72 77.13 47.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 126.55 1.94 . . . . 0.0 110.701 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.19 135.94 28.18 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.681 2.921 . . . . 0.0 111.179 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -132.82 132.92 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.761 1.624 . . . . 0.0 109.826 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -89.43 139.49 30.46 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.822 1.649 . . . . 0.0 111.303 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.47 157.65 35.86 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.881 2.072 . . . . 0.0 109.79 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.07 -25.45 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.02 2.48 . . . . 0.0 113.075 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 m -77.46 -0.71 27.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.42 1.088 . . . . 0.0 113.741 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -7.97 69.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.241 1.4 . . . . 0.0 114.868 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 m -64.55 149.43 48.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.551 1.941 . . . . 0.0 110.264 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.3 t -118.87 137.81 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.976 1.311 . . . . 0.0 110.23 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 tpp -134.34 165.26 25.56 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.665 1.986 . . . . 0.0 110.54 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.47 136.35 49.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.365 1.066 . . . . 0.0 111.146 169.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -48.58 -52.33 23.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.742 1.617 . . . . 0.0 113.133 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -68.46 -38.64 81.27 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.637 -0.665 . . . . 0.0 111.688 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.0 mt -65.25 -46.27 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.111 0.964 . . . . 0.0 111.658 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.99 -47.35 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.905 1.23 . . . . 0.0 111.487 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.24 -32.94 74.31 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.406 1.003 . . . . 0.0 112.434 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -69.1 -33.29 73.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.549 0.74 . . . . 0.0 112.279 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -73.5 -41.71 62.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.168 0.895 . . . . 0.0 111.838 172.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.72 -36.44 74.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.551 1.14 . . . . 0.0 113.308 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -33.25 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.584 1.153 . . . . 0.0 112.982 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -87.78 -47.0 8.97 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.36 1.064 . . . . 0.0 113.184 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.7 m -151.14 146.37 19.04 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.74 1.616 . . . . 0.0 112.085 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.03 59.93 7.59 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.411 3.407 . . . . 0.0 111.33 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.4 p -148.22 159.67 43.73 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.561 1.944 . . . . 0.0 111.602 -172.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.65 142.45 94.0 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 125.824 1.65 . . . . 0.0 112.134 173.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -67.32 -18.86 50.26 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.059 3.173 . . . . 0.0 116.353 -174.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.76 -32.29 2.37 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.47 -28.34 18.64 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.399 1.08 . . . . 0.0 111.715 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 61.92 15.2 6.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.174 2.189 . . . . 0.0 114.478 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -61.65 152.31 31.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.976 . . . . 0.0 110.026 160.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -66.13 140.56 58.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.913 0.485 . . . . 0.0 111.196 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.83 137.77 19.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.115 1.366 . . . . 0.0 109.315 -167.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 m -129.94 151.51 50.42 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.021 1.728 . . . . 0.0 109.252 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.27 -32.19 64.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.053 0.941 . . . . 0.0 112.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -65.99 -17.11 64.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.106 1.362 . . . . 0.0 113.973 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 mmt -87.96 -9.27 54.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.522 1.129 . . . . 0.0 113.668 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 mt -82.64 151.57 26.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.029 1.332 . . . . 0.0 111.994 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -156.56 112.44 2.03 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.004 1.322 . . . . 0.0 110.27 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -57.22 137.87 83.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.954 2.436 . . . . 0.0 112.128 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.8 112.89 58.83 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.131 0.972 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.9 -37.13 0.63 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.893 2.396 . . . . 0.0 112.5 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.06 69.33 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.964 0.802 . . . . 0.0 112.933 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.62 -42.7 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.583 0.753 . . . . 0.0 111.558 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.8 -39.39 90.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.326 0.966 . . . . 0.0 112.808 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.49 -31.51 70.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.524 1.129 . . . . 0.0 112.445 174.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.49 -40.33 64.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.288 0.495 . . . . 0.0 112.237 171.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -59.0 -50.35 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.651 1.18 . . . . 0.0 111.236 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.44 -32.56 74.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.488 0.586 . . . . 0.0 112.553 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.56 -43.98 75.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.184 0.593 . . . . 0.0 111.875 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -62.97 -42.99 99.99 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.454 0.702 . . . . 0.0 112.154 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mtp -58.39 -40.16 81.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.324 1.05 . . . . 0.0 111.882 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.6 -46.14 83.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.433 0.693 . . . . 0.0 111.905 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 119.07 0.85 . . . . 0.0 112.764 177.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.8 m -59.66 -18.1 39.22 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.713 -1.242 . . . . 0.0 112.995 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.46 -6.29 49.34 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.418 1.887 . . . . 0.0 114.023 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 150.27 83.46 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.0 0.92 . . . . 0.0 113.17 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.92 156.56 62.62 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.479 2.786 . . . . 0.0 110.724 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.62 -23.88 67.29 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 113.585 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.12 -20.6 62.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.867 1.267 . . . . 0.0 114.036 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -98.98 -11.26 21.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.884 1.274 . . . . 0.0 113.223 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -99.05 138.48 36.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.437 1.095 . . . . 0.0 111.409 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -78.68 133.09 63.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.549 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -72.27 -11.44 26.82 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.907 2.405 . . . . 0.0 115.198 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 tp -79.84 -60.75 2.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.546 1.521 . . . . 0.0 110.938 171.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.29 -18.33 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 74.56 -1.64 3.03 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.097 2.559 . . . . 0.0 114.031 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 p -93.57 156.29 16.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.667 1.987 . . . . 0.0 112.226 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.61 116.7 5.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 109.152 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -69.21 -37.6 78.15 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p 64.22 -26.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 129.127 2.971 . . . . 0.0 115.363 -177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.45 78.67 20.32 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 127.256 2.223 . . . . 0.0 109.99 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.4 134.03 18.35 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.765 2.31 . . . . 0.0 110.197 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.16 128.26 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.736 1.214 . . . . 0.0 109.386 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -90.02 137.55 32.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.193 1.797 . . . . 0.0 110.822 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.45 162.49 25.82 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.638 2.375 . . . . 0.0 109.92 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -64.01 -23.03 67.91 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.451 2.767 . . . . 0.0 112.992 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p -80.01 -4.35 52.25 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.542 1.537 . . . . 0.0 113.93 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.42 -5.81 83.71 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.515 1.531 . . . . 0.0 114.296 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -65.09 150.18 48.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.08 2.152 . . . . 0.0 110.297 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.86 129.15 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.199 1.0 . . . . 0.0 110.662 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -130.19 163.68 26.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.316 1.846 . . . . 0.0 112.148 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.24 130.46 43.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.858 1.263 . . . . 0.0 111.22 169.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -43.98 -47.59 8.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.016 1.726 . . . . 0.0 113.438 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.1 m -70.53 -30.76 67.59 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.812 0.845 . . . . 0.0 112.754 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.5 mt -79.14 -43.29 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.317 -0.864 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tp -64.13 -44.66 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.846 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.74 -32.79 74.32 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.947 1.249 . . . . 0.0 112.485 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.16 -44.11 89.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.782 0.719 . . . . 0.0 110.885 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.2 -42.19 84.57 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.833 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.76 -36.3 76.36 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.07 -34.79 78.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.99 0.916 . . . . 0.0 112.126 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 -43.2 26.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.006 . . . . 0.0 113.389 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -162.77 150.15 11.2 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 126.269 1.828 . . . . 0.0 111.4 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.74 66.05 8.66 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.094 3.196 . . . . 0.0 111.328 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 p -147.41 153.03 39.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.655 1.582 . . . . 0.0 112.168 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.31 139.78 97.57 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.752 2.021 . . . . 0.0 111.792 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.25 -24.94 43.29 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.698 2.932 . . . . 0.0 114.899 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.76 -39.19 2.76 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.269 0.94 . . . . 0.0 113.43 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.02 -25.5 19.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.176 0.99 . . . . 0.0 112.388 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 69.3 10.93 8.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.319 2.248 . . . . 0.0 114.294 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -56.5 147.67 21.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.884 1.274 . . . . 0.0 110.402 161.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.06 140.15 58.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.234 0.614 . . . . 0.0 110.46 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.94 140.22 21.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.853 0.861 . . . . 0.0 111.11 -164.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.8 m -132.74 151.81 51.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.298 1.839 . . . . 0.0 109.327 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.71 -33.55 48.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.502 1.121 . . . . 0.0 113.508 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -64.61 -16.91 63.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.968 1.307 . . . . 0.0 114.504 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.2 mtt -85.43 -12.52 51.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.59 1.156 . . . . 0.0 113.133 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -84.4 151.59 24.58 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.29 1.436 . . . . 0.0 112.692 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -148.08 108.66 3.7 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.801 1.241 . . . . 0.0 110.082 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.82 121.79 10.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.251 2.634 . . . . 0.0 110.489 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.09 117.07 66.11 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 123.374 0.67 . . . . 0.0 110.99 -168.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.8 -32.57 1.07 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.056 2.504 . . . . 0.0 114.008 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -41.27 94.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.662 1.119 . . . . 0.0 111.534 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.08 -39.01 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.507 -0.746 . . . . 0.0 112.056 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -62.59 -44.86 95.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.627 1.103 . . . . 0.0 112.143 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.25 -32.6 73.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.929 1.292 . . . . 0.0 112.125 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.48 -41.61 65.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.257 0.481 . . . . 0.0 112.223 172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt -60.66 -50.0 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.583 1.153 . . . . 0.0 111.649 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.37 -32.04 73.47 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.821 0.737 . . . . 0.0 112.452 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.89 83.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.031 0.533 . . . . 0.0 111.943 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -67.16 -41.46 85.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.78 -0.575 . . . . 0.0 111.856 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.2 mtp -61.09 -42.72 99.03 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.402 -0.811 . . . . 0.0 111.503 173.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.76 -41.54 86.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 112.227 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.326 0.65 . . . . 0.0 111.905 175.637 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -58.19 -21.32 46.98 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.713 -1.242 . . . . 0.0 113.286 167.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.17 -6.17 50.08 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.042 2.137 . . . . 0.0 113.703 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 142.26 98.34 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.208 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.78 156.94 63.97 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.615 2.877 . . . . 0.0 111.249 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.7 -21.58 65.87 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.3 -15.41 60.0 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 113.753 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -94.32 -20.62 19.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.01 1.324 . . . . 0.0 112.922 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm105 -95.54 133.23 39.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 111.978 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.46 137.8 59.41 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.946 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.25 -14.02 42.41 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.215 2.61 . . . . 0.0 115.858 -172.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -79.93 -60.73 2.23 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.825 1.648 . . . . 0.0 111.148 170.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.15 -19.27 30.36 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.54 41.07 32.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.669 1.988 . . . . 0.0 113.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -145.34 162.42 37.29 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.007 1.723 . . . . 0.0 109.884 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 119.21 6.42 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.513 1.125 . . . . 0.0 110.853 -171.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -71.95 -35.62 69.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 71.48 -29.48 0.19 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.716 2.407 . . . . 0.0 113.21 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -125.68 80.34 66.65 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.413 2.285 . . . . 0.0 109.965 174.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.32 134.89 25.64 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.049 2.499 . . . . 0.0 110.067 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -131.28 137.83 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.535 1.534 . . . . 0.0 109.819 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -89.71 131.29 35.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.758 2.023 . . . . 0.0 110.143 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.02 161.26 28.87 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.901 1.68 . . . . 0.0 109.888 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.75 -21.87 50.67 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.411 2.741 . . . . 0.0 113.448 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 p -74.89 -5.81 45.74 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 1.36 74.74 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.672 1.606 . . . . 0.0 114.435 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -70.06 140.95 52.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.347 1.459 . . . . 0.0 110.36 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -103.39 137.8 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.743 1.217 . . . . 0.0 109.564 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.6 ttm -151.06 159.17 44.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.386 1.475 . . . . 0.0 111.257 -173.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -67.75 128.29 35.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.616 1.166 . . . . 0.0 110.979 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -46.25 -46.89 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.858 1.663 . . . . 0.0 113.101 173.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -69.4 -37.55 77.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 111.974 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.8 mt -73.68 -41.2 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.94 -42.28 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.426 -0.796 . . . . 0.0 112.286 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 pp -69.26 -32.05 70.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.825 1.193 . . . . 0.0 112.045 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -65.0 -46.67 80.45 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.476 0.71 . . . . 0.0 110.415 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -68.93 -34.95 76.21 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.37 -0.831 . . . . 0.0 112.518 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.4 mt -57.49 -35.21 69.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.06 0.944 . . . . 0.0 112.897 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.72 -42.55 97.89 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.174 0.99 . . . . 0.0 111.172 171.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.57 -45.22 76.21 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 113.501 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -163.73 153.08 12.32 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 126.105 1.762 . . . . 0.0 111.596 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.48 51.69 3.63 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.607 3.538 . . . . 0.0 111.679 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 p -144.81 160.58 41.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.383 1.873 . . . . 0.0 112.59 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.33 132.15 91.61 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 126.636 1.974 . . . . 0.0 111.605 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -64.82 -23.75 62.13 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.746 2.964 . . . . 0.0 115.304 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -110.34 -39.47 4.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.414 1.086 . . . . 0.0 112.577 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -102.0 -19.52 15.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.75 0.82 . . . . 0.0 112.895 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 66.84 12.27 8.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.703 2.001 . . . . 0.0 114.823 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -65.0 152.24 43.89 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.261 1.024 . . . . 0.0 110.343 166.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.72 140.11 58.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.106 0.562 . . . . 0.0 111.004 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -152.33 139.94 19.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.935 0.894 . . . . 0.0 110.248 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -134.47 152.56 51.87 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.013 1.725 . . . . 0.0 109.902 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -54.06 -32.32 54.28 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.942 1.297 . . . . 0.0 113.354 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 p -70.3 -14.57 62.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.008 1.323 . . . . 0.0 114.188 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.2 mtt -88.23 -6.79 57.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.053 1.341 . . . . 0.0 112.851 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.29 152.31 22.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.659 1.584 . . . . 0.0 112.189 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -158.99 131.77 4.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.905 1.682 . . . . 0.0 109.153 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.5 142.54 49.36 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.585 2.19 . . . . 0.0 111.283 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -89.27 112.51 51.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.388 1.075 . . . . 0.0 109.932 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.12 -38.62 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.601 2.201 . . . . 0.0 112.79 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.75 -20.69 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -92.82 -45.59 7.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.554 0.742 . . . . 0.0 111.604 170.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.63 -40.34 91.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.693 1.133 . . . . 0.0 112.672 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.87 -34.46 77.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.189 0.996 . . . . 0.0 112.559 176.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -73.04 -41.22 64.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.17 0.588 . . . . 0.0 112.245 173.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.64 -51.27 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.501 1.121 . . . . 0.0 111.268 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.92 -32.49 74.02 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.22 75.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.83 0.852 . . . . 0.0 111.804 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -64.95 -45.46 85.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.873 0.869 . . . . 0.0 112.136 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -57.75 -36.02 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.894 0.878 . . . . 0.0 112.281 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -68.56 -45.56 71.78 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.044 0.937 . . . . 0.0 111.931 174.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 123.939 0.896 . . . . 0.0 112.547 178.581 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 CA--C 1.55 0.966 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -63.35 -9.77 13.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.404 -1.435 . . . . 0.0 113.616 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.42 -8.69 59.77 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.621 1.968 . . . . 0.0 113.501 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 149.93 90.3 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.718 -1.239 . . . . 0.0 112.998 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.06 156.67 59.46 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.519 2.813 . . . . 0.0 111.187 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.56 -31.17 69.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.447 1.099 . . . . 0.0 113.273 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -92.2 -5.62 52.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.459 1.103 . . . . 0.0 112.599 172.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -115.99 136.96 52.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.363 1.065 . . . . 0.0 112.297 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.59 141.55 48.7 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.031 0.932 . . . . 0.0 112.067 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.14 -35.15 66.13 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.689 2.259 . . . . 0.0 114.537 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 tp -72.6 -53.97 10.42 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.428 0.558 . . . . 0.0 111.662 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mmm -89.37 -10.81 45.23 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.13 8.77 7.02 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.297 2.239 . . . . 0.0 114.436 172.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -137.21 172.91 12.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.276 1.43 . . . . 0.0 111.924 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.35 121.83 11.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.452 1.901 . . . . 0.0 111.093 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -71.9 -29.2 64.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 p 66.96 -28.82 0.14 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 129.123 2.969 . . . . 0.0 115.005 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -132.84 89.13 35.62 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 127.349 2.26 . . . . 0.0 109.157 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.73 135.33 14.27 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.567 2.845 . . . . 0.0 111.641 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.52 126.98 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.906 1.282 . . . . 0.0 109.81 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -89.85 136.88 32.78 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.338 1.855 . . . . 0.0 110.944 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 165.3 17.49 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 127.339 2.255 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.89 -21.77 73.37 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.067 2.511 . . . . 0.0 113.603 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.2 p -71.57 -12.41 61.35 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.682 1.193 . . . . 0.0 114.184 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.16 -3.86 85.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.55 1.548 . . . . 0.0 114.056 -172.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.5 m -75.34 148.12 39.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.185 1.394 . . . . 0.0 109.757 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.8 t -116.08 132.74 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.352 1.061 . . . . 0.0 110.356 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -126.4 165.97 18.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 111.725 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.92 129.89 41.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.282 1.433 . . . . 0.0 111.556 168.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -47.26 -53.73 12.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 113.419 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -70.61 -34.26 71.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.116 0.566 . . . . 0.0 111.455 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.72 -46.03 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.727 0.694 . . . . 0.0 110.213 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.38 -43.82 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.358 0.981 . . . . 0.0 112.244 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.32 -33.41 73.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.121 0.873 . . . . 0.0 112.004 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.17 76.94 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.321 0.964 . . . . 0.0 111.604 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.0 -33.77 74.95 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.342 0.974 . . . . 0.0 112.583 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.16 -35.36 67.1 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.82 1.248 . . . . 0.0 113.492 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -25.51 64.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.717 0.807 . . . . 0.0 112.549 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.1 -53.1 5.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.067 0.947 . . . . 0.0 111.121 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -152.35 144.29 16.49 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 125.262 1.425 . . . . 0.0 111.719 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.71 55.43 5.67 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.191 3.261 . . . . 0.0 110.571 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -145.24 160.74 41.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.189 1.396 . . . . 0.0 112.411 -168.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -64.06 135.95 96.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 125.627 1.571 . . . . 0.0 110.551 170.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.49 -13.79 30.41 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.661 2.907 . . . . 0.0 115.601 -172.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -125.17 -28.42 3.41 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -105.68 -31.55 8.85 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.606 1.562 . . . . 0.0 111.906 -175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.268 81.4 mtt-85 66.43 23.82 10.51 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.214 1.805 . . . . 0.0 114.559 166.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.96 165.59 19.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 110.293 150.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -60.79 147.72 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.022 0.929 . . . . 0.0 112.482 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -156.25 134.03 11.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.138 1.775 . . . . 0.0 109.546 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -129.54 151.41 50.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.153 1.381 . . . . 0.0 109.379 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.25 -23.09 65.4 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 p -71.62 -18.68 62.19 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.64 1.176 . . . . 0.0 113.344 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.7 mmt -91.5 -9.57 43.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 113.112 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.49 148.96 27.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.328 1.451 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -150.39 124.81 4.59 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 124.546 1.138 . . . . 0.0 110.046 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.11 119.69 6.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.728 2.285 . . . . 0.0 109.117 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.4 116.66 66.72 Favored Pre-proline 0 N--CA 1.477 0.887 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.833 -170.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.67 -33.56 1.22 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.902 2.401 . . . . 0.0 114.021 -168.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.98 -37.77 88.64 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.758 1.163 . . . . 0.0 112.048 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -41.56 56.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.03 0.932 . . . . 0.0 110.649 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.99 -43.43 98.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.208 -0.932 . . . . 0.0 112.398 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.34 -36.01 82.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.503 1.121 . . . . 0.0 111.632 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -68.89 -46.6 67.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.904 0.482 . . . . 0.0 111.22 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.28 -47.91 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.015 0.926 . . . . 0.0 112.009 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.731 0.696 . . . . 0.0 112.687 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.8 65.31 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.327 0.512 . . . . 0.0 111.538 169.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.91 -40.62 96.1 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.298 0.639 . . . . 0.0 112.635 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.7 mtm -60.14 -38.32 82.74 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.983 -1.073 . . . . 0.0 112.044 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.29 -42.32 83.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.415 0.686 . . . . 0.0 111.826 174.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 123.543 0.737 . . . . 0.0 112.225 174.264 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.4 m -58.03 -23.52 54.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.999 1.32 . . . . 0.0 113.41 170.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.89 -9.61 59.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.785 1.634 . . . . 0.0 113.533 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.4 147.88 98.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.224 -0.923 . . . . 0.0 112.014 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.29 157.22 57.49 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.389 2.726 . . . . 0.0 111.291 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.07 -19.42 65.22 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.89 -17.47 57.27 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 173.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -98.56 -16.57 19.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.661 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -97.09 131.46 43.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.756 1.222 . . . . 0.0 111.548 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.81 140.32 40.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.881 0.872 . . . . 0.0 111.279 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.08 -38.81 54.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 123.268 2.645 . . . . 0.0 114.58 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -87.64 -35.25 18.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.0 0.92 . . . . 0.0 111.498 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 ttt -66.84 -32.16 73.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.56 0.744 . . . . 0.0 112.39 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 60.68 32.29 20.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.0 2.12 . . . . 0.0 112.587 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -168.56 174.89 6.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.024 2.13 . . . . 0.0 111.154 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.31 121.5 12.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.737 1.615 . . . . 0.0 110.547 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -68.09 -37.95 81.78 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m 73.35 -34.52 0.29 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.041 2.536 . . . . 0.0 113.044 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.55 83.38 41.22 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 127.154 2.182 . . . . 0.0 109.97 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.74 135.84 20.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.146 2.564 . . . . 0.0 111.416 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.98 125.83 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.835 1.254 . . . . 0.0 109.661 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -90.46 136.36 33.11 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.703 1.201 . . . . 0.0 111.369 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.27 163.58 20.4 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 127.092 2.157 . . . . 0.0 110.64 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.59 -23.53 56.95 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.966 2.444 . . . . 0.0 113.883 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -71.22 -8.16 51.72 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 173.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.22 -5.11 83.03 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.506 1.527 . . . . 0.0 113.805 -174.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 m -68.74 147.46 51.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.412 1.885 . . . . 0.0 109.456 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.4 t -122.33 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.165 0.986 . . . . 0.0 110.068 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -123.26 163.38 20.81 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 111.923 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.77 133.81 55.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.323 1.049 . . . . 0.0 112.242 165.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -47.3 -54.69 10.36 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.621 1.568 . . . . 0.0 112.846 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -68.29 -33.64 74.71 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.522 -0.736 . . . . 0.0 111.999 -171.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -73.44 -44.21 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.109 -0.994 . . . . 0.0 111.956 175.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.78 -41.21 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 119.974 1.261 . . . . 0.0 111.545 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.93 -33.99 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.617 0.644 . . . . 0.0 112.212 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -70.68 -33.48 70.96 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.138 0.881 . . . . 0.0 112.366 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.3 -38.05 68.83 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.761 0.709 . . . . 0.0 111.861 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.66 -36.55 69.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.067 0.947 . . . . 0.0 112.85 171.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.93 -22.4 65.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.291 1.036 . . . . 0.0 113.417 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.35 -44.16 11.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.772 0.829 . . . . 0.0 112.475 173.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -164.3 155.0 13.2 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.165 1.786 . . . . 0.0 111.739 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.71 59.14 7.14 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 124.298 3.332 . . . . 0.0 111.073 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -143.01 157.26 44.71 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.772 1.629 . . . . 0.0 112.512 -171.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -66.9 134.46 94.02 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 127.661 2.384 . . . . 0.0 111.457 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -67.13 -21.81 48.16 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.25 3.3 . . . . 0.0 114.85 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -118.23 -36.0 3.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.34 0.973 . . . . 0.0 113.374 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -97.28 -28.07 14.22 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.069 0.948 . . . . 0.0 112.743 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 65.96 17.32 10.77 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.251 2.22 . . . . 0.0 114.045 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -59.13 158.95 8.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.763 0.825 . . . . 0.0 110.279 155.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.45 141.91 58.35 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.047 0.539 . . . . 0.0 111.486 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -152.4 133.28 14.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.44 1.496 . . . . 0.0 110.085 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -129.69 154.09 47.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.724 1.609 . . . . 0.0 109.651 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.03 -36.09 49.09 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.766 1.227 . . . . 0.0 113.102 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -64.35 -15.8 61.05 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 mtt -90.2 -14.3 33.73 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.319 1.448 . . . . 0.0 112.947 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.28 153.23 20.62 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.519 1.528 . . . . 0.0 112.595 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.15 119.68 2.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.593 1.157 . . . . 0.0 109.473 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.5 125.43 18.76 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.258 2.638 . . . . 0.0 110.576 170.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.6 114.94 65.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 123.346 0.658 . . . . 0.0 111.076 -168.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.0 -32.35 1.9 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.219 2.613 . . . . 0.0 113.203 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.91 -20.89 66.69 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.293 0.951 . . . . 0.0 113.344 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.83 -45.73 10.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.697 0.799 . . . . 0.0 111.527 166.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.8 -37.87 80.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.534 1.061 . . . . 0.0 113.267 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.13 -33.39 74.4 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.85 0.86 . . . . 0.0 112.724 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.65 -41.95 62.04 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.903 0.881 . . . . 0.0 111.802 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.74 -51.99 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.174 1.39 . . . . 0.0 110.806 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.19 -32.88 74.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.771 0.714 . . . . 0.0 112.271 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.28 85.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.01 0.823 . . . . 0.0 111.415 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -66.78 -46.04 76.53 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.815 0.846 . . . . 0.0 111.823 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.1 mtp -59.43 -35.59 74.29 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.0 112.333 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.53 -39.89 81.41 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.202 1.001 . . . . 0.0 112.149 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 123.674 0.789 . . . . 0.0 111.741 176.248 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.549 0.926 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -57.65 -18.53 20.94 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.254 1.422 . . . . 0.0 113.47 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.5 -6.85 43.6 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.689 1.996 . . . . 0.0 113.886 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 147.09 86.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.592 1.157 . . . . 0.0 112.886 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.67 159.02 49.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.607 2.871 . . . . 0.0 110.637 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -15.55 9.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.762 1.225 . . . . 0.0 114.107 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.32 -37.18 72.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.299 1.44 . . . . 0.0 112.011 170.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -106.71 0.75 24.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.652 1.581 . . . . 0.0 113.127 -170.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -113.52 134.7 54.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.861 1.264 . . . . 0.0 111.763 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.86 142.87 27.98 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.005 1.322 . . . . 0.0 110.66 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.63 -36.89 73.06 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.58 2.853 . . . . 0.0 114.713 -173.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 tp -95.04 -33.8 12.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -34.35 78.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.955 0.502 . . . . 0.0 111.827 170.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 66.72 21.65 10.53 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.308 1.843 . . . . 0.0 113.342 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -163.75 -178.35 5.69 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.006 2.122 . . . . 0.0 110.33 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.5 114.51 2.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.204 1.402 . . . . 0.0 110.592 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -71.04 -34.97 71.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m 74.07 -36.16 0.33 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 128.045 2.538 . . . . 0.0 112.324 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -121.16 81.83 37.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 127.157 2.183 . . . . 0.0 109.433 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.36 135.39 26.62 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.524 2.816 . . . . 0.0 110.807 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.26 130.42 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.593 1.157 . . . . 0.0 109.945 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -89.74 135.88 33.36 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.593 1.157 . . . . 0.0 111.733 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.36 165.09 35.3 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.947 2.099 . . . . 0.0 110.506 173.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.79 -22.95 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.95 2.433 . . . . 0.0 113.068 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -75.16 -3.82 35.19 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.684 1.194 . . . . 0.0 113.792 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.77 -9.74 76.18 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 126.048 1.785 . . . . 0.0 114.562 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -71.31 148.28 47.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.717 2.007 . . . . 0.0 110.567 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.6 t -110.98 130.89 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.637 1.175 . . . . 0.0 110.777 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -132.78 166.58 21.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.442 1.897 . . . . 0.0 112.278 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.57 135.17 48.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 113.1 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -57.12 -46.47 82.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.515 1.126 . . . . 0.0 113.667 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -66.26 -35.64 80.93 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.114 -0.991 . . . . 0.0 112.385 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -73.38 -43.66 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.529 1.132 . . . . 0.0 111.293 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.67 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.55 0.613 . . . . 0.0 111.102 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.26 -34.12 70.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.258 -0.901 . . . . 0.0 112.284 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.58 -38.54 91.35 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.253 0.933 . . . . 0.0 111.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -63.55 -52.62 60.32 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.784 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.17 -36.05 67.89 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tt -62.78 -38.55 91.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.286 1.434 . . . . 0.0 111.994 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.73 -44.44 27.8 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.24 1.016 . . . . 0.0 112.461 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -169.77 154.08 5.2 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.441 1.496 . . . . 0.0 112.572 -169.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.77 68.0 8.3 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.375 2.717 . . . . 0.0 111.017 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -139.29 146.73 40.71 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.286 1.434 . . . . 0.0 113.515 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.31 139.33 97.41 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.63 1.972 . . . . 0.0 111.182 169.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -68.67 -24.05 35.59 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.302 2.668 . . . . 0.0 115.378 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -123.81 -37.19 2.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.842 1.201 . . . . 0.0 113.384 -175.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -86.12 -25.73 25.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.532 0.733 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 71.38 6.01 5.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.834 2.454 . . . . 0.0 114.385 175.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -57.97 157.09 8.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.343 1.457 . . . . 0.0 111.359 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.17 136.42 55.9 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.009 0.524 . . . . 0.0 111.032 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -152.24 136.36 16.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 111.076 -167.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 m -123.83 151.95 42.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.046 1.738 . . . . 0.0 109.165 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.1 -22.78 61.37 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 p -68.51 -17.54 64.19 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.62 1.568 . . . . 0.0 113.473 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.6 mmt -89.03 -8.44 54.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.987 1.315 . . . . 0.0 112.928 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.0 155.69 21.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.063 1.345 . . . . 0.0 112.481 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -155.22 117.23 2.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.9 1.28 . . . . 0.0 110.294 171.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.16 136.5 76.83 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.6 2.867 . . . . 0.0 111.989 173.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.38 114.84 61.99 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.057 0.943 . . . . 0.0 111.017 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.47 -39.65 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.77 2.313 . . . . 0.0 112.081 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.45 -21.05 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.82 -43.1 11.48 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.429 168.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -65.45 -36.95 85.45 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.28 1.4 . . . . 0.0 113.228 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.27 -30.64 68.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.933 0.893 . . . . 0.0 112.41 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -73.05 -40.59 64.96 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.887 0.767 . . . . 0.0 112.241 170.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.46 -52.2 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 111.427 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.77 71.46 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.175 0.443 . . . . 0.0 112.148 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.24 66.56 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.1 0.863 . . . . 0.0 111.731 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -63.86 -43.17 96.92 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.354 -0.842 . . . . 0.0 112.355 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.8 mtp -60.86 -34.68 74.96 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.601 0.76 . . . . 0.0 112.53 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -67.54 -44.67 77.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.177 0.591 . . . . 0.0 111.817 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 118.954 0.797 . . . . 0.0 112.765 176.594 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -60.43 -17.71 46.16 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.521 -1.362 . . . . 0.0 114.004 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.297 2.639 . . . . 0.0 114.291 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 148.05 61.28 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.293 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.79 155.8 61.85 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.236 2.624 . . . . 0.0 111.8 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.5 -26.73 68.7 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.617 1.167 . . . . 0.0 113.553 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.78 -16.5 63.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -98.08 -1.49 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.395 1.478 . . . . 0.0 113.014 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -120.25 134.98 55.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 0.0 112.227 -167.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.35 134.02 49.28 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-O 118.61 -0.71 . . . . 0.0 111.045 173.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.91 -20.93 50.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.463 2.775 . . . . 0.0 115.148 -174.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.07 -47.9 19.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 120.218 1.372 . . . . 0.0 112.08 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.7 mtp -92.08 -20.12 21.61 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 56.6 52.77 9.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.946 1.698 . . . . 0.0 112.551 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -156.72 161.52 39.82 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.901 1.68 . . . . 0.0 110.828 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 120.62 12.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.087 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -71.05 -36.19 72.23 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 p 65.19 -31.7 0.14 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 129.359 3.064 . . . . 0.0 114.958 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.26 86.19 37.77 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.678 1.991 . . . . 0.0 110.047 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -71.25 134.87 25.76 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.197 2.598 . . . . 0.0 110.882 171.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.5 t -129.92 132.11 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.56 1.544 . . . . 0.0 109.461 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -89.94 140.17 29.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.956 2.102 . . . . 0.0 111.46 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 mt -98.09 160.25 28.78 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.933 2.093 . . . . 0.0 110.979 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.37 -21.88 66.38 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.269 2.646 . . . . 0.0 113.504 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.0 p -71.6 -11.25 60.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -2.59 80.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.751 1.644 . . . . 0.0 113.997 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.9 m -69.81 145.8 51.86 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.816 1.246 . . . . 0.0 110.051 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.4 t -113.02 143.21 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.981 1.313 . . . . 0.0 110.081 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.4 ttm -146.89 162.7 38.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.827 2.051 . . . . 0.0 111.14 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.5 135.76 47.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.368 1.067 . . . . 0.0 112.148 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -52.69 -51.24 61.16 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.547 1.539 . . . . 0.0 113.717 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 m -68.81 -37.63 79.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.608 -0.682 . . . . 0.0 112.517 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.95 -48.2 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.005 0.922 . . . . 0.0 111.084 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -64.24 -45.62 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 119.233 0.924 . . . . 0.0 111.628 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.21 -34.42 77.45 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.758 1.163 . . . . 0.0 112.553 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -66.96 -38.32 85.89 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.848 0.749 . . . . 0.0 111.859 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -67.0 -46.6 74.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.865 0.757 . . . . 0.0 111.142 174.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.62 -37.22 72.91 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.68 1.192 . . . . 0.0 113.347 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.43 -33.99 75.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.987 1.315 . . . . 0.0 112.601 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -79.67 -44.12 21.47 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.771 0.828 . . . . 0.0 111.321 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 p -169.91 145.15 2.4 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.773 1.629 . . . . 0.0 111.682 172.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.25 75.89 4.08 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.647 2.898 . . . . 0.0 112.316 -170.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -145.11 158.51 43.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.362 1.865 . . . . 0.0 111.537 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.18 134.28 91.47 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.618 1.167 . . . . 0.0 112.376 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -65.91 -22.24 56.17 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.506 2.804 . . . . 0.0 115.215 -174.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.1 -32.08 7.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.448 1.022 . . . . 0.0 113.151 -177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -102.99 -27.81 12.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.085 1.354 . . . . 0.0 112.871 -173.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 67.82 12.65 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.947 2.099 . . . . 0.0 114.501 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.27 157.72 37.17 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.802 0.841 . . . . 0.0 110.561 164.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -63.17 134.85 56.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.006 0.922 . . . . 0.0 111.706 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.76 120.31 5.09 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.382 1.473 . . . . 0.0 109.6 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -113.67 161.32 17.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.726 1.21 . . . . 0.0 112.154 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.87 -23.68 61.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.266 1.427 . . . . 0.0 113.872 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.0 p -70.86 -16.65 62.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.787 1.235 . . . . 0.0 113.814 174.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.6 mtt -89.11 -7.54 55.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.095 1.358 . . . . 0.0 113.377 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.6 154.67 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.377 1.471 . . . . 0.0 112.357 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -160.9 129.1 2.88 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.688 1.595 . . . . 0.0 109.681 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.52 144.96 41.37 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.677 2.252 . . . . 0.0 111.507 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.3 113.06 62.66 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 0.0 111.427 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.7 -34.64 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.237 2.625 . . . . 0.0 112.892 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.43 -23.22 66.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.417 1.008 . . . . 0.0 113.403 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.45 -41.93 11.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.336 1.054 . . . . 0.0 111.655 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.44 -35.33 80.55 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.43 1.014 . . . . 0.0 112.815 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.86 -34.71 79.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.149 1.38 . . . . 0.0 112.473 173.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.63 -40.78 63.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.135 0.574 . . . . 0.0 111.974 172.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.08 -48.8 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.256 1.022 . . . . 0.0 111.012 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -66.43 -32.2 73.42 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.31 0.959 . . . . 0.0 112.595 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.24 90.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.632 -0.668 . . . . 0.0 112.051 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -67.38 -44.05 79.89 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.376 0.67 . . . . 0.0 112.135 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.6 mtp -57.85 -35.63 71.19 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.302 1.041 . . . . 0.0 112.425 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -59.77 -45.26 92.83 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.243 -0.91 . . . . 0.0 112.207 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 123.315 0.646 . . . . 0.0 112.237 176.77 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -63.24 -6.9 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.283 -1.511 . . . . 0.0 113.514 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.12 -8.04 58.66 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.419 1.888 . . . . 0.0 113.475 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 152.73 78.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.923 1.289 . . . . 0.0 113.494 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.03 156.44 56.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.679 2.919 . . . . 0.0 111.272 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.19 -25.4 67.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.437 1.095 . . . . 0.0 113.855 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.97 -19.81 61.83 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -94.56 -0.2 54.74 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 0.0 112.881 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -119.31 143.98 47.08 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.362 1.065 . . . . 0.0 112.047 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.35 139.54 25.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 124.002 0.921 . . . . 0.0 110.773 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -37.04 54.62 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.146 2.564 . . . . 0.0 114.471 -174.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -81.93 -40.03 22.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.363 0.665 . . . . 0.0 111.072 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -68.03 -29.88 68.98 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 71.78 5.59 5.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.707 2.803 . . . . 0.0 113.266 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -151.86 179.65 8.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.605 1.562 . . . . 0.0 111.585 -169.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 118.63 7.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 111.359 -170.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -74.41 -34.59 63.31 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 p 66.69 -23.0 0.1 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 128.546 2.738 . . . . 0.0 115.463 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.39 81.05 71.34 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 126.359 1.864 . . . . 0.0 110.121 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.85 135.65 17.81 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.52 2.814 . . . . 0.0 111.996 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.7 t -123.36 129.37 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 126.168 1.787 . . . . 0.0 109.342 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -89.99 135.34 33.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.57 2.348 . . . . 0.0 110.963 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.16 163.95 20.51 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.447 2.299 . . . . 0.0 110.216 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.18 -24.14 59.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.056 2.504 . . . . 0.0 112.873 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -75.06 -6.78 51.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.903 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.91 77.98 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.847 1.689 . . . . 0.0 114.185 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -64.06 150.19 45.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.625 1.97 . . . . 0.0 110.338 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.94 132.45 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.966 0.907 . . . . 0.0 109.753 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -137.82 171.78 13.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.563 1.945 . . . . 0.0 111.544 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -70.81 136.19 48.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.255 1.022 . . . . 0.0 113.032 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -49.04 -52.24 26.47 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.602 1.961 . . . . 0.0 113.798 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -70.35 -38.46 74.81 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.434 -0.791 . . . . 0.0 111.788 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.55 -43.57 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.75 0.704 . . . . 0.0 111.292 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -64.03 -46.95 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 111.853 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.25 -36.11 80.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.382 0.992 . . . . 0.0 112.258 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.76 78.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.281 0.946 . . . . 0.0 111.704 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -70.12 -44.09 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.9 0.773 . . . . 0.0 111.664 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.95 -36.38 72.48 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.09 0.956 . . . . 0.0 113.165 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.09 -23.47 66.52 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.587 1.155 . . . . 0.0 113.951 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.14 -52.53 5.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.169 0.988 . . . . 0.0 111.005 171.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -151.06 141.34 14.5 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.859 1.664 . . . . 0.0 110.182 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.48 64.15 7.98 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.769 2.979 . . . . 0.0 111.127 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -144.33 156.27 44.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.718 1.607 . . . . 0.0 112.295 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.68 131.5 92.8 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 110.437 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.16 -19.85 56.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.501 2.801 . . . . 0.0 114.409 -172.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -120.67 -33.51 3.79 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.045 0.938 . . . . 0.0 113.258 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -96.1 -27.01 15.28 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.061 0.944 . . . . 0.0 112.956 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 66.74 16.03 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.532 2.333 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -61.75 154.82 24.51 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.582 1.153 . . . . 0.0 111.324 160.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpt -56.9 133.27 54.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.414 1.086 . . . . 0.0 110.716 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.11 114.26 4.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.895 0.878 . . . . 0.0 111.118 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.0 m -105.77 152.2 23.51 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.683 1.593 . . . . 0.0 109.705 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.31 -23.04 62.13 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 p -70.28 -17.28 63.1 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.323 1.449 . . . . 0.0 114.084 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.5 mtt -84.75 -13.79 50.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.872 1.269 . . . . 0.0 113.024 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.91 152.21 25.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.596 1.558 . . . . 0.0 111.985 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -151.24 118.3 3.31 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.789 1.236 . . . . 0.0 109.682 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.97 131.65 22.83 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.056 1.837 . . . . 0.0 109.182 174.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.51 105.25 53.97 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 123.261 0.624 . . . . 0.0 111.385 -171.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.82 -31.21 3.29 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.732 2.955 . . . . 0.0 113.563 -171.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.95 -26.29 68.76 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.345 0.975 . . . . 0.0 113.057 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.03 -44.28 16.83 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.804 -0.56 . . . . 0.0 111.483 169.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.08 -39.6 86.63 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.625 1.102 . . . . 0.0 113.004 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.04 -34.49 76.56 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.965 1.306 . . . . 0.0 112.309 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.99 -38.5 64.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.961 0.505 . . . . 0.0 112.321 172.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.97 -53.03 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.043 1.337 . . . . 0.0 111.095 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -65.69 -32.03 73.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.796 0.726 . . . . 0.0 112.357 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.3 78.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.674 0.789 . . . . 0.0 111.639 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -65.86 -42.33 90.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.68 0.792 . . . . 0.0 111.758 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mtp -60.76 -42.68 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.919 0.888 . . . . 0.0 111.578 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.08 -45.99 92.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.724 0.81 . . . . 0.0 112.001 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 123.367 0.667 . . . . 0.0 112.388 177.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -65.91 -11.21 45.38 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.495 -1.378 . . . . 0.0 112.734 170.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -76.13 -6.2 50.12 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.018 2.127 . . . . 0.0 113.978 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 140.58 87.38 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -174.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 153.87 72.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.858 3.039 . . . . 0.0 111.625 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.71 -25.19 66.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.844 1.258 . . . . 0.0 114.342 -168.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.73 -19.48 65.14 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.481 1.113 . . . . 0.0 113.984 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -101.11 -9.59 21.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.75 1.62 . . . . 0.0 113.67 173.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -85.22 146.12 27.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.661 0.785 . . . . 0.0 111.867 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -78.19 145.84 69.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 122.909 0.484 . . . . 0.0 111.704 162.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -28.02 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.229 2.62 . . . . 0.0 113.305 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.59 -50.49 9.91 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 111.204 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.6 mmm -94.69 -14.54 24.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.94 1.296 . . . . 0.0 114.451 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.5 t0 57.02 49.99 12.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.194 2.198 . . . . 0.0 113.604 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -149.41 172.56 14.74 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.987 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 121.18 11.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.09 0.956 . . . . 0.0 109.627 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -70.81 -43.05 69.44 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 m 73.31 -37.34 0.38 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.794 2.438 . . . . 0.0 113.054 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.9 79.69 8.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 127.011 2.124 . . . . 0.0 110.719 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.52 135.4 24.15 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.348 2.699 . . . . 0.0 110.826 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.6 t -134.39 128.23 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.955 1.702 . . . . 0.0 109.818 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -89.8 137.14 32.59 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.894 1.678 . . . . 0.0 111.565 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -89.48 161.75 38.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 110.66 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.8 -22.02 69.33 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.465 2.777 . . . . 0.0 113.423 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.4 p -70.42 -10.87 60.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.635 1.574 . . . . 0.0 114.519 171.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.66 -7.44 81.89 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 126.014 1.769 . . . . 0.0 114.262 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.4 m -66.81 149.33 50.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.764 1.626 . . . . 0.0 110.033 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -113.09 139.25 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.355 1.062 . . . . 0.0 110.232 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.8 tpp -135.03 167.68 20.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.298 1.839 . . . . 0.0 110.662 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.53 136.15 44.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.618 1.167 . . . . 0.0 111.871 169.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -48.27 -53.23 17.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.843 1.657 . . . . 0.0 113.032 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -69.63 -39.31 77.24 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.585 -172.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.11 -47.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.173 0.989 . . . . 0.0 111.653 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.87 -44.82 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.45 1.023 . . . . 0.0 112.053 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.91 -32.85 73.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.778 1.172 . . . . 0.0 112.361 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.11 -46.13 75.11 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.408 0.683 . . . . 0.0 110.691 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.64 -38.01 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.144 0.884 . . . . 0.0 112.24 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.7 -34.86 71.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.257 1.023 . . . . 0.0 112.652 172.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -27.58 68.57 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.363 1.065 . . . . 0.0 113.039 172.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -85.44 -47.84 9.57 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.225 1.01 . . . . 0.0 112.579 175.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 m -151.61 147.65 20.58 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.569 1.548 . . . . 0.0 110.919 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.02 54.36 5.13 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.364 3.376 . . . . 0.0 111.551 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 p -146.67 161.9 39.59 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.72 1.608 . . . . 0.0 112.433 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.26 137.76 75.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.595 1.158 . . . . 0.0 111.262 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.91 -29.56 67.27 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.645 2.896 . . . . 0.0 115.273 -175.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -112.04 -25.7 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.709 1.141 . . . . 0.0 113.928 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -101.47 -28.62 12.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.464 1.106 . . . . 0.0 112.315 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.48 20.1 10.9 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.841 2.056 . . . . 0.0 114.033 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -70.03 162.03 28.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.494 -0.754 . . . . 0.0 110.294 164.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.38 136.92 48.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.997 0.919 . . . . 0.0 110.923 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.52 142.33 18.95 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.687 1.195 . . . . 0.0 110.188 -173.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.6 m -144.28 153.77 42.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.539 1.936 . . . . 0.0 109.054 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -56.17 -32.06 63.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.277 1.031 . . . . 0.0 112.621 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -16.97 64.14 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.365 1.466 . . . . 0.0 113.896 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.5 mtt -87.55 -10.38 51.78 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.578 1.151 . . . . 0.0 113.293 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.23 153.43 24.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.219 1.408 . . . . 0.0 112.665 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -156.09 124.64 2.95 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.065 1.346 . . . . 0.0 110.095 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.83 140.27 35.0 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.247 2.631 . . . . 0.0 111.497 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.6 t -90.67 119.79 68.96 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.032 0.933 . . . . 0.0 111.268 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.02 -37.74 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.053 2.502 . . . . 0.0 112.836 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.17 -32.43 73.86 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.911 1.232 . . . . 0.0 112.554 -175.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.69 -44.98 26.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.742 0.817 . . . . 0.0 111.433 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -59.96 -42.4 94.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.644 1.111 . . . . 0.0 112.855 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.37 -35.51 81.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.962 1.305 . . . . 0.0 112.069 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.65 -40.44 66.37 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.794 -0.566 . . . . 0.0 112.389 173.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.14 -49.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.669 1.188 . . . . 0.0 111.602 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -32.61 74.34 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.686 0.675 . . . . 0.0 112.216 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.64 82.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.361 0.664 . . . . 0.0 111.564 172.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.5 -43.18 90.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.564 -0.71 . . . . 0.0 112.442 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.85 -39.65 85.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.14 0.882 . . . . 0.0 111.389 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -67.76 -39.89 84.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.699 0.8 . . . . 0.0 112.205 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 119.283 0.947 . . . . 0.0 112.686 174.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 N--CA 1.479 0.662 0 N-CA-C 114.055 0.752 . . . . 0.0 114.055 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.29 9.28 67.28 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 125.383 1.468 . . . . 0.0 115.122 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -64.29 147.83 51.6 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.022 1.329 . . . . 0.0 113.501 -173.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.68 168.93 24.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.595 1.558 . . . . 0.0 111.833 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -138.77 158.56 44.01 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.504 1.521 . . . . 0.0 111.82 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.88 142.2 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.106 1.362 . . . . 0.0 109.784 172.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.6 121.72 22.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.907 0.883 . . . . 0.0 111.954 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -95.43 28.46 2.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.649 1.179 . . . . 0.0 113.666 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -59.69 -18.9 46.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.842 1.257 . . . . 0.0 113.74 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.96 -5.96 55.1 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.941 1.697 . . . . 0.0 113.538 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 141.91 98.3 Favored Pre-proline 0 CA--C 1.548 0.884 0 O-C-N 121.113 -0.992 . . . . 0.0 112.845 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.55 157.68 58.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 123.735 2.957 . . . . 0.0 111.453 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.74 -21.45 65.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.719 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.79 -17.09 57.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.562 1.145 . . . . 0.0 113.634 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -95.14 -20.97 18.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.02 1.328 . . . . 0.0 112.386 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -90.87 144.08 26.06 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.028 0.831 . . . . 0.0 113.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.4 153.15 79.03 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.14 1.376 . . . . 0.0 112.152 170.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.57 -32.25 0.67 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.286 2.658 . . . . 0.0 113.554 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.01 -52.03 8.78 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.027 0.83 . . . . 0.0 111.058 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.3 mmm -89.03 -11.8 43.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.549 1.54 . . . . 0.0 113.86 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 58.56 37.05 25.48 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.755 2.022 . . . . 0.0 113.423 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -142.83 172.01 13.27 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.034 1.334 . . . . 0.0 111.516 -176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.07 118.43 9.14 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 109.294 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -66.7 -39.58 88.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m 71.7 -35.49 0.33 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.335 2.654 . . . . 0.0 112.62 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.64 83.67 14.17 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 126.982 2.113 . . . . 0.0 110.436 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.76 135.39 23.6 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.345 2.697 . . . . 0.0 110.415 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.41 127.92 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 125.585 1.554 . . . . 0.0 109.277 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -89.88 137.47 32.31 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.954 1.302 . . . . 0.0 111.551 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -95.72 164.93 17.64 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 126.942 2.097 . . . . 0.0 110.804 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.5 -21.88 59.57 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.77 2.98 . . . . 0.0 113.115 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.6 p -69.82 -11.05 60.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.28 1.432 . . . . 0.0 114.095 170.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.18 -8.57 79.54 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.041 1.781 . . . . 0.0 113.933 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -68.18 145.86 53.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.102 1.761 . . . . 0.0 110.044 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.08 135.08 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.292 1.037 . . . . 0.0 109.334 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.5 tpp -135.96 165.4 25.75 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.829 1.652 . . . . 0.0 110.44 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.06 137.72 47.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 111.613 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -52.29 -48.84 65.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.606 1.562 . . . . 0.0 113.11 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -70.79 -39.48 73.12 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.341 -0.849 . . . . 0.0 112.553 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -64.76 -44.03 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.299 0.954 . . . . 0.0 111.903 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.93 -44.62 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.251 0.932 . . . . 0.0 111.838 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.31 -28.74 66.53 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.149 0.886 . . . . 0.0 112.942 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -68.72 -37.06 79.2 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.355 0.662 . . . . 0.0 111.369 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -72.58 -36.25 68.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 113.186 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 mt -54.93 -34.67 63.4 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.84 -31.83 73.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 113.117 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.48 -44.63 17.14 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.017 0.927 . . . . 0.0 112.421 175.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.9 p -163.07 151.48 11.89 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.928 1.291 . . . . 0.0 110.712 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.04 59.4 6.5 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.326 3.351 . . . . 0.0 111.513 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 p -149.58 163.71 37.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.221 1.408 . . . . 0.0 113.258 -168.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.05 137.78 97.21 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 126.29 1.836 . . . . 0.0 113.204 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.51 -17.77 33.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.939 3.092 . . . . 0.0 116.398 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -122.6 7.86 9.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.736 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.0 -27.4 0.13 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.767 1.227 . . . . 0.0 114.066 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.272 57.0 mtp180 61.25 28.93 18.41 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.952 2.101 . . . . 0.0 115.069 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.08 156.11 36.96 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.709 -0.619 . . . . 0.0 109.675 156.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.1 mmm -60.87 143.45 54.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.511 0.724 . . . . 0.0 112.5 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -155.52 136.71 13.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.709 1.604 . . . . 0.0 110.424 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.4 m -133.31 152.64 51.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.569 1.948 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.91 -29.1 62.74 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.306 1.043 . . . . 0.0 113.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.3 p -69.98 -14.82 62.88 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.934 1.294 . . . . 0.0 113.985 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.3 mtt -90.79 -10.11 44.06 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.351 1.46 . . . . 0.0 113.281 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.4 mt -86.41 150.94 23.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.793 1.637 . . . . 0.0 112.172 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -149.5 118.62 3.85 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 124.622 1.169 . . . . 0.0 110.324 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.83 139.76 89.85 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.111 3.207 . . . . 0.0 112.83 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.85 115.58 64.86 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.713 1.205 . . . . 0.0 110.271 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.6 -40.5 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.53 2.153 . . . . 0.0 112.839 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.37 -19.98 65.5 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -91.42 -45.68 8.42 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.052 0.941 . . . . 0.0 111.713 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.61 -40.12 93.7 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.568 1.076 . . . . 0.0 113.007 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.95 -31.73 70.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.173 0.989 . . . . 0.0 112.331 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.48 -41.65 62.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.627 0.649 . . . . 0.0 112.089 172.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.4 -48.51 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.736 1.214 . . . . 0.0 111.731 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.96 -32.15 73.2 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.1 76.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.547 0.739 . . . . 0.0 111.539 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -64.93 -47.9 76.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.825 0.85 . . . . 0.0 111.918 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.6 mtm -58.24 -34.27 70.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.611 0.765 . . . . 0.0 112.726 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -60.19 -44.85 94.76 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.721 0.691 . . . . 0.0 111.336 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.59 -36.83 84.9 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.489 0.716 . . . . 0.0 112.787 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -65.85 -34.49 78.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.098 -1.001 . . . . 0.0 112.371 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -76.92 -42.93 37.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.398 1.079 . . . . 0.0 112.229 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.5 p -72.38 -8.86 57.19 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -73.69 -16.13 61.21 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.324 1.05 . . . . 0.0 113.699 171.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.84 143.39 27.1 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.392 1.477 . . . . 0.0 112.423 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.855 1.662 . . . . 0.0 111.487 176.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 CA--C 1.538 0.685 0 N-CA-C 113.606 0.579 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.85 -16.67 67.3 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 123.826 0.727 . . . . 0.0 113.597 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -76.2 112.58 12.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.266 1.026 . . . . 0.0 111.612 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.49 160.56 29.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.035 1.734 . . . . 0.0 111.442 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -141.83 155.93 45.56 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.48 1.512 . . . . 0.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm -106.75 144.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.515 1.526 . . . . 0.0 109.018 170.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -79.34 97.01 6.15 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.215 0.606 . . . . 0.0 109.952 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -77.75 48.99 0.73 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.11 1.364 . . . . 0.0 113.561 -175.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -61.25 -23.56 65.74 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.659 -1.276 . . . . 0.0 113.337 175.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -84.04 -6.94 59.5 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.146 1.378 . . . . 0.0 114.186 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 137.18 97.03 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 119.614 1.097 . . . . 0.0 112.302 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.63 158.0 47.84 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 124.118 3.212 . . . . 0.0 111.317 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.92 -28.03 65.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 113.882 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.99 -15.56 61.54 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -96.4 -5.12 40.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.647 1.179 . . . . 0.0 112.776 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -103.63 154.1 19.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 112.99 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 142.54 62.89 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.177 0.591 . . . . 0.0 111.924 164.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.78 -25.78 8.83 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.42 2.746 . . . . 0.0 113.332 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.95 -52.89 8.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.77 0.828 . . . . 0.0 110.676 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 93.3 mmm -102.49 -13.33 17.27 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.78 5.89 5.29 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.793 2.437 . . . . 0.0 114.188 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.0 p -90.25 160.83 15.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.199 1.4 . . . . 0.0 111.581 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.67 112.78 6.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.613 0.765 . . . . 0.0 109.079 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -71.63 -40.03 70.01 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -166.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.285 4.7 t 55.04 -16.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 130.45 3.5 . . . . 0.0 116.967 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -117.86 73.54 9.12 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.785 2.034 . . . . 0.0 110.554 167.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.27 136.29 24.03 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.374 2.716 . . . . 0.0 110.173 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -134.39 134.49 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.807 1.643 . . . . 0.0 109.862 -174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -88.52 133.25 34.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.415 1.886 . . . . 0.0 110.379 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -98.93 157.8 33.47 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.051 2.141 . . . . 0.0 109.242 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.27 -25.2 49.94 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.045 2.496 . . . . 0.0 114.489 -166.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -77.57 0.64 22.26 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.04 4.59 68.83 Favored Glycine 0 N--CA 1.477 1.422 0 C-N-CA 125.357 1.456 . . . . 0.0 114.666 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 m -74.18 145.08 44.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.262 1.425 . . . . 0.0 109.521 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -106.39 137.41 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 109.596 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.8 tpp -137.68 164.16 29.52 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.329 1.852 . . . . 0.0 110.515 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.11 137.37 38.17 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.557 1.143 . . . . 0.0 111.191 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -54.33 -46.24 72.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.2 1.0 . . . . 0.0 112.897 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.37 -39.34 81.83 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.205 -0.934 . . . . 0.0 112.246 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.02 -44.39 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.439 -0.788 . . . . 0.0 111.74 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.06 -45.43 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.391 0.996 . . . . 0.0 111.518 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.37 -33.28 75.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.314 1.415 . . . . 0.0 112.592 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -64.1 -44.65 91.66 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.85 0.86 . . . . 0.0 111.042 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.56 -40.89 89.24 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.258 -0.901 . . . . 0.0 111.415 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.23 -36.17 77.12 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.441 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.31 -31.16 72.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.131 0.972 . . . . 0.0 112.444 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.65 -48.07 17.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 111.711 171.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 p -168.54 146.51 3.49 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.064 1.346 . . . . 0.0 111.378 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.74 64.73 8.73 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.046 3.164 . . . . 0.0 111.612 -173.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -141.23 158.05 44.42 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.47 1.508 . . . . 0.0 112.042 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.84 135.63 89.96 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 124.746 1.218 . . . . 0.0 111.571 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.98 -13.92 41.73 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.778 3.652 . . . . 0.0 115.251 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -130.64 -24.92 2.42 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -107.36 -19.64 13.52 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.39 1.076 . . . . 0.0 113.451 -173.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 64.76 11.1 6.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.041 2.136 . . . . 0.0 115.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.54 158.53 20.82 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.357 -0.839 . . . . 0.0 110.894 165.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -56.16 134.31 52.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.037 0.935 . . . . 0.0 110.743 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 131.81 10.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.095 0.958 . . . . 0.0 110.597 -173.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 61' ' ' SER . 1.3 t -148.52 177.86 9.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.069 0.947 . . . . 0.0 112.521 173.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.58 -25.97 54.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.171 1.789 . . . . 0.0 113.276 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.519 ' H ' HG23 ' A' ' 59' ' ' THR . 80.7 p -76.92 -15.22 59.74 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtt -96.84 -1.57 45.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.578 1.551 . . . . 0.0 113.025 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -90.54 152.51 20.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.894 1.678 . . . . 0.0 112.27 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -158.4 116.33 1.76 Allowed Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.428 1.491 . . . . 0.0 109.778 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -57.58 139.14 89.27 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.993 2.462 . . . . 0.0 113.242 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.35 115.59 65.0 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.732 1.213 . . . . 0.0 110.626 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.05 -35.19 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.007 2.471 . . . . 0.0 113.178 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.07 -19.47 64.88 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.11 -46.13 7.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.226 1.01 . . . . 0.0 111.693 169.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -55.86 -43.42 77.08 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.39 0.996 . . . . 0.0 112.677 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.79 -35.93 82.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.69 1.196 . . . . 0.0 112.426 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -73.42 -41.72 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.816 0.846 . . . . 0.0 112.05 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.1 mt -61.63 -48.66 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.321 1.048 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.94 -32.49 74.02 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.66 0.663 . . . . 0.0 112.651 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.07 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.458 0.703 . . . . 0.0 111.66 173.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.98 -44.11 85.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.604 0.762 . . . . 0.0 112.113 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.81 -35.85 81.24 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.283 -0.886 . . . . 0.0 112.219 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.71 81.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.682 0.674 . . . . 0.0 112.1 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.957 0.903 . . . . 0.0 112.376 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -72.19 -35.84 69.07 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.96 -30.78 31.53 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.833 0.853 . . . . 0.0 113.027 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m 70.79 -5.89 1.37 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.568 1.947 . . . . 0.0 114.575 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -95.83 3.67 53.51 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.569 1.548 . . . . 0.0 113.681 -171.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.5 t0 81.26 163.15 0.16 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.715 2.806 . . . . 0.0 112.787 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.183 1.393 . . . . 0.0 113.821 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 CA--C 1.542 0.877 0 N-CA-C 114.887 1.072 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.13 26.63 33.38 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 124.155 0.883 . . . . 0.0 112.505 -169.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -129.48 -30.55 2.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.03 1.332 . . . . 0.0 113.64 -165.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.81 -15.75 6.85 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.064 1.346 . . . . 0.0 112.576 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -79.7 142.82 35.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.442 1.897 . . . . 0.0 111.59 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.14 154.94 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.339 1.055 . . . . 0.0 110.097 174.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.02 90.76 3.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.474 1.11 . . . . 0.0 110.991 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.65 27.87 0.17 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -173.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -61.46 -15.06 33.85 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.451 -1.406 . . . . 0.0 113.638 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.48 -5.61 56.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.223 2.209 . . . . 0.0 113.538 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.67 142.4 96.87 Favored Pre-proline 0 CA--C 1.545 0.783 0 O-C-N 120.75 -1.219 . . . . 0.0 113.213 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -69.54 156.26 64.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 122.985 2.457 . . . . 0.0 110.665 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -64.72 -25.74 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.69 -16.57 62.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.596 1.158 . . . . 0.0 113.928 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -91.57 -5.86 53.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.723 1.209 . . . . 0.0 113.106 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -104.32 145.55 30.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.83 134.15 34.27 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.981 168.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.97 -11.83 32.84 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.816 2.344 . . . . 0.0 115.763 -172.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -77.43 -55.21 5.58 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.318 1.417 . . . . 0.0 110.568 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.0 mmt -91.45 -13.59 32.02 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 66.7 15.26 10.08 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.014 2.126 . . . . 0.0 114.085 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -134.77 167.85 20.1 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.113 1.765 . . . . 0.0 111.703 -173.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.59 121.9 12.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.26 1.824 . . . . 0.0 111.463 -170.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -78.25 -38.96 41.65 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 p 67.36 -27.73 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 128.965 2.906 . . . . 0.0 115.03 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.71 80.53 40.28 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.193 1.797 . . . . 0.0 110.648 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.41 135.52 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.445 2.763 . . . . 0.0 111.043 173.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.81 134.04 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.33 1.852 . . . . 0.0 109.221 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.52 133.94 34.71 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.36 1.064 . . . . 0.0 110.715 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -82.94 163.71 49.83 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.01 1.724 . . . . 0.0 110.183 169.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.48 -21.96 59.61 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.375 2.716 . . . . 0.0 113.409 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 p -69.33 -12.15 61.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.839 1.656 . . . . 0.0 114.224 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.17 -6.61 82.5 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.021 1.772 . . . . 0.0 114.133 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -65.11 134.7 54.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.303 1.441 . . . . 0.0 110.499 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.56 137.54 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.455 1.102 . . . . 0.0 109.834 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.6 ttm -148.06 161.13 42.02 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.697 1.599 . . . . 0.0 110.876 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.3 134.48 46.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.726 . . . . 0.0 112.429 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -49.86 -54.75 17.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.039 1.736 . . . . 0.0 113.168 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.8 m -68.71 -36.23 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.311 0.645 . . . . 0.0 112.061 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.7 mt -70.14 -45.22 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.96 -1.087 . . . . 0.0 111.375 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -65.44 -41.07 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 120.222 1.374 . . . . 0.0 112.612 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.44 -32.73 71.85 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.68 1.127 . . . . 0.0 112.486 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -70.62 -34.54 72.21 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.6 0.636 . . . . 0.0 111.552 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -72.18 -39.43 68.66 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.735 0.698 . . . . 0.0 112.043 173.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.33 -36.61 68.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.588 1.155 . . . . 0.0 113.176 172.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.91 -30.25 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.197 0.999 . . . . 0.0 112.343 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.47 -50.77 7.45 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.423 1.089 . . . . 0.0 112.089 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.24 147.41 19.6 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.58 1.552 . . . . 0.0 111.909 -170.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -81.16 50.52 3.58 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 124.266 3.311 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -145.39 164.45 31.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.964 1.705 . . . . 0.0 112.593 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.27 132.84 87.71 Favored Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.147 2.179 . . . . 0.0 111.635 173.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -65.94 -18.71 57.78 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.604 3.536 . . . . 0.0 115.31 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -114.26 -43.42 3.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.481 1.112 . . . . 0.0 112.273 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -99.13 -22.67 15.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 -169.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 69.54 7.85 6.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 127.463 2.305 . . . . 0.0 114.585 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -58.8 151.93 20.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.755 1.222 . . . . 0.0 110.529 162.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.07 144.18 54.05 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.813 -0.555 . . . . 0.0 112.063 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.72 138.23 15.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.435 1.494 . . . . 0.0 110.341 -170.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.0 m -130.13 151.34 50.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.477 1.511 . . . . 0.0 110.163 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -40.83 64.24 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.158 1.383 . . . . 0.0 112.822 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -66.93 -13.12 61.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.863 1.265 . . . . 0.0 114.162 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mtt -91.97 -8.87 44.96 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.136 1.374 . . . . 0.0 112.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.81 150.25 24.68 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.231 1.412 . . . . 0.0 112.143 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -153.99 124.36 3.4 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 124.716 1.206 . . . . 0.0 110.808 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -56.25 141.54 88.3 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.75 2.966 . . . . 0.0 113.186 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 t -96.51 109.45 48.03 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.555 1.142 . . . . 0.0 110.643 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.49 -35.4 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.397 2.065 . . . . 0.0 112.435 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.63 -17.93 64.2 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt -94.79 -42.97 8.45 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.211 1.004 . . . . 0.0 111.685 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.78 -40.85 94.13 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.362 0.983 . . . . 0.0 112.409 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.39 -34.83 79.22 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.504 1.121 . . . . 0.0 112.132 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -73.34 -40.22 64.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.132 0.573 . . . . 0.0 112.328 174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mt -59.82 -51.25 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.061 0.944 . . . . 0.0 110.903 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.31 -32.25 73.55 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.45 79.94 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.406 0.682 . . . . 0.0 111.662 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -62.45 -46.9 86.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.367 0.667 . . . . 0.0 112.055 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.7 mtp -58.75 -40.0 82.57 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.84 0.746 . . . . 0.0 112.132 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.13 -39.38 89.81 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.526 0.73 . . . . 0.0 112.303 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.99 -40.9 87.49 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.969 0.804 . . . . 0.0 112.01 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -66.16 -29.35 69.63 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -62.8 -26.39 68.71 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.089 0.859 . . . . 0.0 112.465 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.5 m -73.68 -9.81 59.05 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.859 -1.15 . . . . 0.0 113.98 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -81.01 -7.34 59.53 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 120.719 -1.238 . . . . 0.0 113.043 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.83 156.6 29.16 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.994 1.718 . . . . 0.0 112.119 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.962 1.705 . . . . 0.0 111.485 179.142 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 113.7 0.615 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.42 -10.06 59.7 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 124.857 1.218 . . . . 0.0 113.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 m -140.34 159.13 42.87 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.072 1.749 . . . . 0.0 110.508 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.91 170.91 21.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.964 1.306 . . . . 0.0 112.231 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -158.84 163.7 36.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.311 1.844 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.21 145.15 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.264 1.025 . . . . 0.0 110.958 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -78.1 64.86 3.36 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.338 1.455 . . . . 0.0 113.028 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -70.49 -0.85 9.24 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -60.37 -17.76 45.73 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.621 -1.3 . . . . 0.0 112.464 164.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.94 -8.62 54.38 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.34 1.856 . . . . 0.0 113.904 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 153.0 90.22 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 124.699 1.199 . . . . 0.0 113.063 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -67.54 157.65 60.79 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.803 3.002 . . . . 0.0 111.276 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.62 -24.26 65.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.06 -16.54 61.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.829 1.252 . . . . 0.0 114.131 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -97.28 -19.61 18.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.632 1.573 . . . . 0.0 112.592 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -99.92 127.68 46.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.188 0.995 . . . . 0.0 111.73 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.03 135.2 58.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.592 0.757 . . . . 0.0 110.182 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -73.65 -14.02 24.63 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.654 2.236 . . . . 0.0 115.653 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -91.65 -39.0 12.1 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.066 1.303 . . . . 0.0 110.867 168.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.3 ttt -67.46 -32.73 73.78 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.203 1.001 . . . . 0.0 113.247 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 73.78 -2.87 2.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.753 2.821 . . . . 0.0 113.751 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -144.83 -177.2 5.4 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.115 1.766 . . . . 0.0 110.966 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.16 122.69 14.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.294 1.437 . . . . 0.0 111.833 -172.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.43 -33.33 74.94 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 m 72.23 -42.27 0.53 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 127.913 2.485 . . . . 0.0 112.346 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -119.38 86.4 33.48 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.207 2.203 . . . . 0.0 110.519 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -73.16 135.85 23.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.829 3.02 . . . . 0.0 112.126 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.57 129.1 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.115 1.366 . . . . 0.0 110.089 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -89.39 140.61 29.34 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.801 1.64 . . . . 0.0 111.859 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.04 158.26 32.11 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.649 2.38 . . . . 0.0 109.552 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.03 -21.55 56.26 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.796 2.997 . . . . 0.0 113.307 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.0 p -68.86 -11.27 60.35 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.332 1.453 . . . . 0.0 114.567 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.2 74.11 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.363 1.459 . . . . 0.0 113.737 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -72.21 147.79 46.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.694 1.197 . . . . 0.0 109.74 173.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -119.04 133.63 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.716 1.206 . . . . 0.0 109.456 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 tpp -125.16 162.61 24.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.737 2.015 . . . . 0.0 111.758 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.42 133.0 50.37 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 163.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -52.08 -50.19 62.05 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.378 1.471 . . . . 0.0 113.716 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -69.37 -38.55 78.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.525 -0.734 . . . . 0.0 111.776 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.25 -44.37 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.026 -1.046 . . . . 0.0 111.311 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.69 -45.29 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.537 1.062 . . . . 0.0 111.387 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.85 -35.52 78.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.2 0.909 . . . . 0.0 112.158 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -35.53 80.19 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.728 0.695 . . . . 0.0 112.165 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -69.06 -46.15 68.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.921 0.782 . . . . 0.0 111.256 173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.94 -34.82 68.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.106 1.362 . . . . 0.0 113.285 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -33.22 66.78 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 113.129 172.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -89.59 -52.17 5.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.261 1.025 . . . . 0.0 112.164 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -149.29 139.98 13.82 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 125.61 1.564 . . . . 0.0 110.831 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.85 71.84 6.4 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.539 2.826 . . . . 0.0 110.705 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -143.77 156.44 44.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.556 1.542 . . . . 0.0 112.459 -173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -68.15 129.95 92.75 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.21 1.004 . . . . 0.0 110.75 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.57 -18.39 59.12 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.226 2.617 . . . . 0.0 115.194 -171.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -116.23 -36.66 3.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.479 1.112 . . . . 0.0 113.139 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -96.92 -24.8 15.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.724 1.21 . . . . 0.0 112.887 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 64.73 17.47 10.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.957 2.103 . . . . 0.0 114.354 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -63.95 163.11 12.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.563 0.745 . . . . 0.0 110.228 158.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.8 ttp -63.6 142.77 58.27 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.363 0.529 . . . . 0.0 111.311 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.87 112.87 3.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.461 1.505 . . . . 0.0 109.9 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 m -102.88 150.72 23.23 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.291 1.436 . . . . 0.0 110.503 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.24 -28.17 64.64 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.259 1.024 . . . . 0.0 113.572 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 -16.7 64.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.963 1.305 . . . . 0.0 113.564 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.1 mmt -91.05 -5.98 54.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.689 1.195 . . . . 0.0 113.526 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -81.86 149.82 28.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.075 1.35 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -156.01 118.0 2.27 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.741 1.216 . . . . 0.0 110.852 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -57.02 139.14 89.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.823 3.015 . . . . 0.0 112.32 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 69' ' ' LEU . 30.0 t -95.48 111.96 57.21 Favored Pre-proline 0 N--CA 1.478 0.972 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.333 -177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 -38.46 0.91 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.613 2.209 . . . . 0.0 112.153 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.08 -21.99 65.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' H ' HG12 ' A' ' 66' ' ' VAL . 72.7 mt -89.19 -45.87 9.23 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.799 0.84 . . . . 0.0 111.149 168.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -56.63 -43.78 80.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.081 1.31 . . . . 0.0 112.692 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.15 -32.83 73.37 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.196 0.998 . . . . 0.0 112.868 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -73.43 -41.54 63.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.997 0.519 . . . . 0.0 112.031 172.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -60.93 -50.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.094 1.358 . . . . 0.0 111.444 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.13 -32.02 73.44 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.65 68.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.66 0.784 . . . . 0.0 111.265 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.34 -43.03 98.91 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.734 -0.604 . . . . 0.0 111.909 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mtp -59.64 -41.12 89.79 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.72 0.808 . . . . 0.0 112.244 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -59.82 -47.07 87.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.524 0.602 . . . . 0.0 111.629 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.12 -36.29 81.3 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 119.124 0.875 . . . . 0.0 112.603 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -72.04 -35.22 69.28 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.172 -0.955 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -83.2 -42.09 17.67 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.495 1.118 . . . . 0.0 112.155 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.6 m -89.08 24.85 1.99 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.906 1.282 . . . . 0.0 113.458 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 p -75.85 -17.07 59.96 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.197 1.399 . . . . 0.0 114.116 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.56 135.76 42.11 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.062 1.345 . . . . 0.0 112.329 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.823 1.649 . . . . 0.0 111.339 -177.123 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo . . . . . 0 CA--C 1.541 0.855 0 N-CA-C 113.608 0.58 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.05 2.97 68.3 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.698 1.142 . . . . 0.0 113.657 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -76.16 -16.84 59.79 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.924 1.289 . . . . 0.0 114.252 -172.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.4 157.53 30.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.474 1.91 . . . . 0.0 110.935 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -85.48 155.94 21.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.19 0.996 . . . . 0.0 111.833 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.02 142.3 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.085 0.954 . . . . 0.0 109.849 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -83.29 99.29 9.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.479 1.112 . . . . 0.0 110.402 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -77.31 43.31 0.37 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.116 1.766 . . . . 0.0 114.976 -168.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 m -59.18 -23.34 62.16 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.843 -1.161 . . . . 0.0 113.763 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.24 -3.4 52.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.183 1.793 . . . . 0.0 114.059 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 144.2 97.57 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.018 -1.051 . . . . 0.0 112.716 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.49 155.23 55.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.516 2.811 . . . . 0.0 110.42 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.7 -24.73 67.81 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.78 -18.12 62.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.313 1.045 . . . . 0.0 113.814 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -96.92 -3.38 41.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.574 1.15 . . . . 0.0 113.205 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.35 143.59 35.42 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.266 1.026 . . . . 0.0 111.705 -172.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.06 134.81 23.27 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.284 1.034 . . . . 0.0 110.194 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -72.49 -14.17 27.71 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.451 2.767 . . . . 0.0 115.54 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.6 tm? -83.78 -45.78 12.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.943 1.247 . . . . 0.0 109.134 168.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.4 ttt -66.54 -33.61 76.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.963 1.305 . . . . 0.0 113.831 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 74.84 2.98 4.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.579 2.751 . . . . 0.0 113.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -151.66 -177.36 6.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.65 1.98 . . . . 0.0 111.025 -174.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.58 8.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.097 1.759 . . . . 0.0 111.185 -173.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -68.77 -35.0 76.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 75.39 -40.78 0.43 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.685 2.394 . . . . 0.0 112.155 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -119.71 84.57 31.25 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.921 2.088 . . . . 0.0 110.595 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.56 134.57 24.53 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.874 2.383 . . . . 0.0 111.341 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.92 130.69 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.805 1.642 . . . . 0.0 109.682 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.78 140.84 29.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.254 1.022 . . . . 0.0 111.693 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.73 162.87 32.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.996 2.118 . . . . 0.0 111.147 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.68 -22.6 69.95 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.307 2.671 . . . . 0.0 113.077 174.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 p -72.6 -8.68 56.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.031 1.333 . . . . 0.0 114.029 172.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.47 -9.5 77.08 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.004 1.764 . . . . 0.0 113.875 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.5 m -68.42 144.34 54.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.005 1.722 . . . . 0.0 110.635 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -102.48 140.96 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.707 1.203 . . . . 0.0 109.84 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.3 ttm -144.18 162.86 35.25 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.266 1.827 . . . . 0.0 111.354 -175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.41 131.79 45.33 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.345 0.658 . . . . 0.0 112.092 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -49.25 -55.67 11.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.261 1.824 . . . . 0.0 113.167 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -68.48 -36.26 78.71 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.252 -0.905 . . . . 0.0 112.324 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.6 mt -71.97 -42.64 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.153 0.981 . . . . 0.0 111.858 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.1 -43.67 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 120.432 1.469 . . . . 0.0 112.26 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.5 -33.32 73.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.506 1.048 . . . . 0.0 112.277 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -64.95 -43.29 93.19 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.842 0.857 . . . . 0.0 110.639 172.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -68.4 -41.35 80.59 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.587 -0.696 . . . . 0.0 111.946 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.49 -35.87 72.89 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.583 1.153 . . . . 0.0 113.388 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.39 -26.28 68.39 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.974 0.909 . . . . 0.0 112.753 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.65 -48.23 7.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.602 1.161 . . . . 0.0 112.418 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -151.55 145.08 17.52 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.514 1.526 . . . . 0.0 111.509 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.39 57.11 6.32 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.249 3.299 . . . . 0.0 111.368 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 p -147.7 162.47 39.1 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.839 1.656 . . . . 0.0 112.443 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.78 135.11 85.76 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.203 1.801 . . . . 0.0 112.064 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.59 -23.36 64.04 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.634 2.89 . . . . 0.0 115.764 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 19' ' ' LEU . 91.1 m-85 -105.33 -42.92 5.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.696 1.199 . . . . 0.0 112.598 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -103.37 -24.26 13.5 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 113.271 -170.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 68.79 15.42 8.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.429 1.892 . . . . 0.0 114.38 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.32 158.83 34.27 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.316 0.646 . . . . 0.0 110.9 161.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -64.0 142.29 58.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.914 0.886 . . . . 0.0 112.591 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.5 140.88 17.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.667 1.587 . . . . 0.0 108.936 -172.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.6 p -134.03 152.3 51.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.537 1.135 . . . . 0.0 112.505 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.56 -28.82 65.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 113.93 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.65 -18.19 63.56 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.868 1.267 . . . . 0.0 113.462 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.8 mmt -98.95 -3.33 35.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.385 1.474 . . . . 0.0 113.538 -175.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.58 149.21 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.11 1.364 . . . . 0.0 111.903 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -157.84 131.45 4.8 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.495 1.518 . . . . 0.0 110.153 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.17 140.97 42.39 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.813 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.39 114.83 62.49 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 123.794 0.837 . . . . 0.0 110.953 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.35 -38.65 0.7 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.804 2.336 . . . . 0.0 113.095 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.19 -20.56 64.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.78 -45.59 8.33 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.394 1.078 . . . . 0.0 111.22 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -61.29 -37.81 84.55 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.764 1.165 . . . . 0.0 112.832 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.21 -34.94 77.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.685 1.194 . . . . 0.0 112.348 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -72.95 -40.24 65.52 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.488 -0.758 . . . . 0.0 111.744 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.57 -49.84 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.61 1.564 . . . . 0.0 111.536 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -31.61 72.29 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.696 0.68 . . . . 0.0 112.519 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.88 76.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.543 0.737 . . . . 0.0 111.846 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.63 -45.51 82.78 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.314 0.646 . . . . 0.0 112.317 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.2 mtm -58.73 -35.6 72.96 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.364 -0.835 . . . . 0.0 112.571 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -61.98 -38.31 88.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.608 0.763 . . . . 0.0 111.918 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.89 -28.62 68.47 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.796 0.725 . . . . 0.0 112.608 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -78.55 -34.17 47.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.7 -29.75 45.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.346 1.058 . . . . 0.0 112.056 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 t -60.07 141.55 55.57 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.717 0.807 . . . . 0.0 112.092 170.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.5 m 70.11 -26.3 0.16 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 127.648 2.379 . . . . 0.0 114.24 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.0 -48.4 36.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.755 1.222 . . . . 0.0 111.186 168.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 124.917 1.287 . . . . 0.0 111.573 171.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 114.224 0.817 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.4 -13.53 57.04 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.22 0.914 . . . . 0.0 114.003 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -95.73 -47.75 6.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.336 1.454 . . . . 0.0 112.243 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.6 -11.43 59.65 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.033 1.333 . . . . 0.0 114.492 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -138.52 148.62 44.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.215 1.406 . . . . 0.0 110.287 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mp -87.21 142.68 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.684 1.193 . . . . 0.0 109.15 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.13 107.44 13.93 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.447 0.642 . . . . 0.0 111.694 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -95.23 7.13 47.12 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.394 1.078 . . . . 0.0 113.568 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -64.87 -17.02 63.93 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.374 -1.454 . . . . 0.0 112.897 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.39 -8.49 54.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.37 1.868 . . . . 0.0 113.612 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 147.62 78.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 124.47 1.108 . . . . 0.0 113.044 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.16 157.33 57.7 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.954 3.103 . . . . 0.0 111.138 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -57.84 -28.74 64.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.545 1.138 . . . . 0.0 113.595 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.13 -16.8 61.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.605 1.162 . . . . 0.0 114.044 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -98.53 -5.22 32.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.613 1.165 . . . . 0.0 112.889 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -108.04 148.28 29.98 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.925 0.89 . . . . 0.0 112.9 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.2 162.28 64.73 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.682 173.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -91.92 -3.55 4.05 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.199 3.266 . . . . 0.0 116.176 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 tp -132.9 -53.04 0.92 Allowed 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 120.487 1.494 . . . . 0.0 113.566 -167.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.3 mtp -71.12 -25.46 62.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.606 1.563 . . . . 0.0 111.999 168.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 t0 59.38 55.46 4.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.973 2.509 . . . . 0.0 113.294 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 t -150.23 -178.43 6.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.956 1.702 . . . . 0.0 109.867 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.07 121.6 13.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.646 1.178 . . . . 0.0 109.437 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -72.56 -35.5 68.0 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 m 71.5 -31.7 0.23 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 128.016 2.527 . . . . 0.0 113.496 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -127.26 81.89 69.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 127.393 2.277 . . . . 0.0 110.188 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.17 136.07 26.17 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.186 2.59 . . . . 0.0 111.296 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -127.61 136.17 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.339 1.456 . . . . 0.0 110.45 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -88.18 125.84 34.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 127.475 2.31 . . . . 0.0 109.707 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -90.96 161.35 35.76 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.638 1.575 . . . . 0.0 109.747 168.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -64.14 -22.09 67.51 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 123.105 2.537 . . . . 0.0 114.044 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -73.7 -9.06 58.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.293 1.437 . . . . 0.0 114.21 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.89 1.4 79.96 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.781 1.658 . . . . 0.0 113.72 -172.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.6 m -69.12 140.07 54.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.928 1.291 . . . . 0.0 109.949 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.75 135.82 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.526 1.13 . . . . 0.0 109.514 171.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.2 ttm -142.25 160.9 39.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.061 1.744 . . . . 0.0 111.631 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -74.49 127.81 33.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.107 1.363 . . . . 0.0 110.746 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -48.61 -43.47 36.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 112.778 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -69.04 -31.17 69.76 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.471 -0.768 . . . . 0.0 112.352 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.59 -43.8 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.341 -0.849 . . . . 0.0 110.427 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.34 -40.38 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.796 0.725 . . . . 0.0 112.003 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.61 -37.25 79.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.395 0.998 . . . . 0.0 112.189 175.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -59.27 -42.87 92.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.352 0.661 . . . . 0.0 110.428 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -71.84 -41.66 67.88 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.72 -36.68 72.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.424 1.09 . . . . 0.0 112.989 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.06 -20.99 65.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.312 1.045 . . . . 0.0 113.316 174.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -93.17 -47.84 6.75 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.702 1.201 . . . . 0.0 112.115 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -154.69 150.75 22.18 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.534 1.534 . . . . 0.0 112.094 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -79.25 56.99 6.26 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.197 3.265 . . . . 0.0 111.512 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.4 p -140.68 158.42 44.0 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.158 1.783 . . . . 0.0 112.384 -173.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.58 133.37 86.86 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.682 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.42 -20.17 54.79 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.619 2.879 . . . . 0.0 115.533 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -122.56 -34.07 3.31 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 113.212 -172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -95.81 -25.25 16.11 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.626 1.17 . . . . 0.0 112.744 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 65.13 16.63 10.66 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.021 2.128 . . . . 0.0 113.667 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.51 162.89 14.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.418 0.687 . . . . 0.0 110.637 159.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ttt -63.83 141.61 58.71 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.716 -0.615 . . . . 0.0 110.95 166.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -153.29 132.21 12.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.721 1.609 . . . . 0.0 109.428 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -127.14 152.93 46.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.204 1.402 . . . . 0.0 108.995 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.47 -22.85 35.09 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -64.66 -21.46 66.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.118 1.367 . . . . 0.0 113.871 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -91.76 -5.83 52.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.106 1.362 . . . . 0.0 112.683 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.73 153.91 20.34 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.925 1.29 . . . . 0.0 112.172 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.81 131.97 5.46 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.744 1.617 . . . . 0.0 109.1 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.85 142.68 39.63 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.134 2.556 . . . . 0.0 110.986 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.97 110.65 47.24 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 124.155 0.982 . . . . 0.0 110.719 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 -34.93 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.58 -44.44 8.21 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.982 0.913 . . . . 0.0 111.329 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -60.23 -37.88 81.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.441 1.019 . . . . 0.0 112.643 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.07 -35.25 79.41 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.427 1.091 . . . . 0.0 112.362 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.97 -42.19 63.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.109 0.564 . . . . 0.0 111.603 173.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.0 mt -60.58 -49.31 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.45 -33.01 74.94 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.031 0.832 . . . . 0.0 112.343 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.9 79.48 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.267 0.627 . . . . 0.0 111.494 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -65.59 -44.38 86.83 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.524 -0.735 . . . . 0.0 111.858 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.32 -43.25 99.18 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.645 0.778 . . . . 0.0 111.629 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -56.59 -47.65 79.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.867 0.758 . . . . 0.0 111.346 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.03 -43.72 94.72 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -58.9 -38.07 78.06 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 112.277 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -39.54 33.81 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.428 1.091 . . . . 0.0 112.773 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -75.33 -25.25 57.65 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.101 1.318 . . . . 0.0 113.488 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.7 m -79.93 -7.79 58.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.827 1.251 . . . . 0.0 113.988 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.98 144.12 54.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.507 1.123 . . . . 0.0 112.569 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.255 1.343 0 C-N-CA 126.25 1.82 . . . . 0.0 111.564 -179.221 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 CA--C 1.54 0.825 0 N-CA-C 114.135 0.783 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.22 -0.83 87.24 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 124.791 1.186 . . . . 0.0 114.77 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -69.12 -13.85 62.66 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.504 1.522 . . . . 0.0 114.169 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.54 157.01 43.24 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.135 1.774 . . . . 0.0 111.451 175.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -165.33 162.55 19.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.988 1.715 . . . . 0.0 111.851 -174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -83.6 137.84 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.533 1.133 . . . . 0.0 109.182 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -78.46 124.35 28.03 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.987 0.915 . . . . 0.0 111.407 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -105.8 22.88 14.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -61.46 -17.31 53.87 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.354 -1.466 . . . . 0.0 112.987 171.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -75.3 -9.03 58.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.021 1.728 . . . . 0.0 113.724 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.07 142.55 98.22 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.825 0.85 . . . . 0.0 112.327 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -70.94 157.12 58.94 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.711 2.941 . . . . 0.0 111.585 177.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.42 -26.11 66.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.568 1.147 . . . . 0.0 114.016 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.45 -15.79 62.35 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.44 1.096 . . . . 0.0 113.945 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -100.52 -0.55 37.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.161 1.384 . . . . 0.0 112.518 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -116.01 145.8 42.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.013 1.325 . . . . 0.0 112.166 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -95.28 135.06 23.61 Favored Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 123.862 0.865 . . . . 0.0 110.931 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.92 -11.35 29.21 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.544 2.163 . . . . 0.0 115.497 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.21 -58.93 2.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.874 1.67 . . . . 0.0 109.915 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.4 mmt -85.55 -16.67 38.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.88 24.88 14.79 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 113.622 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -140.84 169.99 16.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.76 1.624 . . . . 0.0 111.338 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 120.14 10.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.543 1.537 . . . . 0.0 111.013 -170.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -77.54 -27.46 51.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -171.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.5 p 57.18 -20.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 130.229 3.412 . . . . 0.0 117.294 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -128.62 77.19 77.8 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.339 2.255 . . . . 0.0 109.733 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.79 135.0 27.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.264 2.643 . . . . 0.0 110.374 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -131.34 133.82 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.142 1.777 . . . . 0.0 109.796 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -88.8 133.57 34.21 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.0 mt -94.02 160.31 32.56 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.755 2.022 . . . . 0.0 110.345 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.4 -21.55 60.67 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.215 2.61 . . . . 0.0 113.514 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -70.04 -10.48 58.83 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.994 1.317 . . . . 0.0 114.286 170.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.42 -6.23 82.39 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.9 1.714 . . . . 0.0 113.628 -174.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -68.84 143.9 54.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.714 1.606 . . . . 0.0 110.103 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.5 137.31 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.451 1.101 . . . . 0.0 109.742 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 tpp -133.74 157.62 45.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.016 2.126 . . . . 0.0 110.453 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -71.3 125.44 26.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 110.078 167.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -43.57 -50.79 7.16 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.785 1.634 . . . . 0.0 113.236 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -70.29 -30.35 67.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 -173.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.27 -41.45 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.799 0.839 . . . . 0.0 110.664 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.12 -44.19 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.488 1.04 . . . . 0.0 111.953 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.5 -31.61 72.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.677 1.126 . . . . 0.0 112.699 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -68.11 -33.52 74.67 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.496 0.718 . . . . 0.0 112.324 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -75.77 -43.05 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.477 -0.764 . . . . 0.0 111.779 172.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.87 -35.89 73.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.518 1.127 . . . . 0.0 113.353 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.3 tp -55.69 -32.49 63.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 112.994 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.47 -50.46 5.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.391 1.077 . . . . 0.0 112.231 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -151.11 147.78 21.32 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.973 1.309 . . . . 0.0 112.046 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -80.51 59.63 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.043 3.162 . . . . 0.0 111.039 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -141.26 153.32 45.16 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.595 1.158 . . . . 0.0 113.68 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 140.16 94.48 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 125.269 1.428 . . . . 0.0 111.742 173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.32 -18.56 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.663 2.909 . . . . 0.0 116.268 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -121.42 -23.47 5.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -174.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -120.92 -24.68 5.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.858 1.663 . . . . 0.0 112.933 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 67.05 22.61 9.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.049 1.74 . . . . 0.0 113.645 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.75 166.92 6.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.187 0.595 . . . . 0.0 110.541 159.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tpt -58.18 137.86 56.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.282 1.033 . . . . 0.0 111.526 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 139.61 15.97 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 109.657 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 m -140.81 153.06 45.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.191 1.396 . . . . 0.0 109.815 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.83 -23.14 60.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.7 p -74.11 -15.28 61.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.087 1.355 . . . . 0.0 113.837 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.6 mtt -86.37 -10.35 54.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.184 1.394 . . . . 0.0 113.314 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.33 151.91 23.67 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.898 1.679 . . . . 0.0 112.549 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -155.88 123.27 2.76 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.114 1.366 . . . . 0.0 110.169 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.2 139.46 90.08 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.825 3.017 . . . . 0.0 113.133 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -90.99 113.58 58.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.769 1.227 . . . . 0.0 110.332 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -76.28 -39.53 0.81 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.622 2.215 . . . . 0.0 112.28 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.98 -20.27 65.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.4 mt -92.06 -45.27 8.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.939 0.896 . . . . 0.0 111.53 170.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.15 -40.03 94.61 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.717 1.144 . . . . 0.0 112.48 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -67.29 -32.1 72.86 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.393 1.077 . . . . 0.0 112.536 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -73.01 -41.77 63.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.651 0.659 . . . . 0.0 112.532 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.75 -46.87 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.684 1.193 . . . . 0.0 111.947 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.64 -32.68 74.38 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.95 71.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.612 0.765 . . . . 0.0 111.7 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -64.88 -47.04 79.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.033 0.933 . . . . 0.0 112.22 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.0 mtm -58.8 -40.18 83.33 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.982 0.81 . . . . 0.0 111.662 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -64.59 -41.92 95.92 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.126 0.57 . . . . 0.0 112.009 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.55 -36.38 83.59 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.929 0.786 . . . . 0.0 112.663 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -71.0 -28.94 64.8 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.107 -0.995 . . . . 0.0 112.845 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -82.7 -32.91 27.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.614 1.565 . . . . 0.0 113.535 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.7 p -75.38 12.25 1.02 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -72.81 71.97 1.05 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.749 1.619 . . . . 0.0 111.6 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 90.03 158.47 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 130.422 3.489 . . . . 0.0 113.132 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.272 1.429 . . . . 0.0 112.527 -177.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 114.223 0.816 . . . . 0.0 114.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.82 -16.15 52.02 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.231 1.396 . . . . 0.0 114.044 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -162.22 146.11 12.04 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.493 2.317 . . . . 0.0 109.7 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.82 149.65 14.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.522 1.529 . . . . 0.0 110.888 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.51 158.1 5.06 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.227 -175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -85.66 144.26 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.419 1.088 . . . . 0.0 109.44 167.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.0 89.01 4.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.08 0.952 . . . . 0.0 111.486 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.79 31.43 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.836 1.655 . . . . 0.0 114.054 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -62.39 -21.35 65.3 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.491 -1.381 . . . . 0.0 113.539 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -79.02 -4.93 52.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.756 1.622 . . . . 0.0 114.553 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 134.65 91.49 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-N 119.186 0.903 . . . . 0.0 112.272 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -70.08 157.19 60.56 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.524 2.816 . . . . 0.0 110.902 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.65 -28.73 67.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.88 -15.38 62.62 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -92.81 -9.25 41.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.347 1.059 . . . . 0.0 112.873 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -102.12 148.63 25.17 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.846 1.258 . . . . 0.0 112.208 -173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -100.61 134.2 20.75 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.041 0.936 . . . . 0.0 110.71 167.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -69.55 -10.78 29.6 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.913 2.409 . . . . 0.0 116.162 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.95 -48.82 13.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.094 1.77 . . . . 0.0 111.375 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.42 -19.24 31.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.7 t70 67.7 13.85 9.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.372 2.269 . . . . 0.0 113.617 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t -146.79 -179.61 6.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.04 1.736 . . . . 0.0 110.971 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.95 120.19 7.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.409 1.884 . . . . 0.0 112.397 -168.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -73.47 -34.59 65.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m 71.87 -39.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.293 2.637 . . . . 0.0 112.7 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -118.64 84.13 23.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.545 2.338 . . . . 0.0 110.808 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.11 135.13 22.41 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.56 2.84 . . . . 0.0 111.952 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.74 129.45 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.233 1.813 . . . . 0.0 109.828 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -90.1 135.82 33.42 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.938 2.095 . . . . 0.0 112.06 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.18 160.8 24.87 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.885 2.074 . . . . 0.0 110.143 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -69.31 -21.35 35.71 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.865 3.043 . . . . 0.0 113.251 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 p -66.58 -11.57 53.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.477 1.511 . . . . 0.0 113.785 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.94 76.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.756 1.646 . . . . 0.0 113.822 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -65.94 141.88 58.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.477 1.511 . . . . 0.0 110.078 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -110.77 136.62 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.484 1.113 . . . . 0.0 108.986 168.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.3 ttm -138.68 159.64 41.6 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.456 1.902 . . . . 0.0 110.914 -170.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.79 125.34 25.57 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.601 1.16 . . . . 0.0 110.949 171.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -46.69 -54.22 10.08 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.295 1.838 . . . . 0.0 112.568 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 m -69.35 -36.14 76.58 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.555 -0.716 . . . . 0.0 111.376 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.15 -47.57 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.58 0.627 . . . . 0.0 110.77 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.17 -43.91 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.525 1.057 . . . . 0.0 112.367 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.47 -33.39 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.82 1.191 . . . . 0.0 112.249 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.97 -44.36 92.96 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.662 0.665 . . . . 0.0 110.364 172.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -66.2 -41.39 90.27 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.677 -0.639 . . . . 0.0 112.038 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -35.6 71.7 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.041 0.936 . . . . 0.0 113.521 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.7 -22.07 66.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.872 0.869 . . . . 0.0 113.339 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.48 -50.4 5.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.546 1.138 . . . . 0.0 112.108 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.2 m -150.26 143.36 16.47 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.373 1.469 . . . . 0.0 111.725 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -79.97 62.08 8.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.04 3.16 . . . . 0.0 110.965 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -143.79 158.8 43.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.491 1.516 . . . . 0.0 112.622 -169.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.17 126.5 91.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.808 1.243 . . . . 0.0 110.411 168.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -60.98 -24.71 80.13 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.851 3.034 . . . . 0.0 115.328 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.12 -42.65 5.03 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.168 0.987 . . . . 0.0 112.881 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -93.87 -26.14 17.03 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.0 0.92 . . . . 0.0 112.661 -172.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 75.65 4.93 3.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.998 2.519 . . . . 0.0 114.373 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -62.32 160.91 12.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.751 0.705 . . . . 0.0 110.778 166.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 90.2 mtp -69.32 148.9 49.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.3 0.572 . . . . 0.0 111.678 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -161.8 137.65 7.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.789 1.636 . . . . 0.0 108.469 -170.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.9 p -130.49 163.2 27.53 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.776 1.23 . . . . 0.0 112.748 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.84 -27.23 50.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.465 1.506 . . . . 0.0 114.164 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -75.42 -13.61 60.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.856 1.262 . . . . 0.0 113.832 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.0 mtt -92.47 -7.15 48.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.339 1.456 . . . . 0.0 113.303 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.86 154.04 21.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.255 1.422 . . . . 0.0 112.559 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -161.56 126.71 2.17 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.429 1.492 . . . . 0.0 110.001 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -71.68 141.62 38.12 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.028 2.485 . . . . 0.0 111.776 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.55 117.86 67.78 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 123.631 0.772 . . . . 0.0 110.457 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -81.53 -39.86 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 113.247 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.29 -33.26 75.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.975 0.807 . . . . 0.0 112.439 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.19 -46.03 24.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.657 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.22 -42.24 98.27 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.981 1.264 . . . . 0.0 112.251 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.78 -34.75 78.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.464 1.105 . . . . 0.0 111.842 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.6 -42.08 64.92 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.711 -0.618 . . . . 0.0 112.435 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.69 -50.98 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.007 1.323 . . . . 0.0 111.472 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -64.32 -32.48 74.1 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.9 -45.07 79.12 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.404 0.682 . . . . 0.0 111.617 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.01 -39.87 87.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.85 0.86 . . . . 0.0 112.344 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.9 mtp -61.3 -40.34 93.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.916 0.887 . . . . 0.0 111.666 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -40.04 88.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.364 0.665 . . . . 0.0 111.504 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -64.33 -36.59 84.6 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.035 0.934 . . . . 0.0 112.516 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -68.91 -32.39 71.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.387 1.075 . . . . 0.0 113.064 171.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -79.8 -35.98 37.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.812 1.245 . . . . 0.0 112.564 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -58.51 137.31 57.47 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.28 -0.887 . . . . 0.0 112.677 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m 72.84 1.0 3.86 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.931 2.092 . . . . 0.0 115.057 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -66.44 136.34 55.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.313 1.045 . . . . 0.0 112.623 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.272 1.829 . . . . 0.0 111.446 -178.229 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 N--CA 1.481 0.74 0 N-CA-C 113.678 0.607 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.98 15.05 55.48 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.395 1.474 . . . . 0.0 115.31 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -63.72 -23.33 67.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.474 1.509 . . . . 0.0 114.288 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.2 143.45 19.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.923 1.689 . . . . 0.0 110.911 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 66.47 171.73 0.24 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.505 2.322 . . . . 0.0 113.792 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mm -91.97 142.16 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.396 1.479 . . . . 0.0 109.57 173.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.11 123.26 24.09 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.276 0.63 . . . . 0.0 111.158 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -119.36 19.75 12.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.786 1.235 . . . . 0.0 113.336 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.8 m -67.23 -17.91 65.01 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.428 -1.42 . . . . 0.0 112.213 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.87 -8.68 58.41 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.256 1.822 . . . . 0.0 113.596 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.25 143.92 94.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 121.051 -1.031 . . . . 0.0 111.93 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.57 156.93 57.11 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.475 2.783 . . . . 0.0 111.243 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.83 -20.4 65.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.346 1.059 . . . . 0.0 113.716 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.04 -18.89 61.28 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.078 0.951 . . . . 0.0 113.406 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -97.34 -8.55 29.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 113.293 173.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -108.79 136.87 47.64 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.675 1.19 . . . . 0.0 112.098 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.97 138.31 49.71 Favored Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.407 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.15 -15.19 45.75 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.957 2.438 . . . . 0.0 116.146 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -84.3 -60.44 2.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.636 1.562 . . . . 0.0 110.896 172.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -87.4 -12.83 45.09 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 68.64 -1.62 1.91 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.967 2.507 . . . . 0.0 114.393 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -104.78 166.29 10.49 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.246 1.818 . . . . 0.0 111.862 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.63 118.9 8.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.626 1.57 . . . . 0.0 110.006 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -70.64 -31.2 68.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -171.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p 59.66 -29.9 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 130.075 3.35 . . . . 0.0 116.409 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.51 80.64 30.66 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 127.398 2.279 . . . . 0.0 109.6 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.82 134.81 22.45 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.128 2.552 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 68.9 t -131.38 132.5 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.411 1.484 . . . . 0.0 109.694 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -88.95 135.94 33.28 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.66 1.584 . . . . 0.0 110.736 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.2 161.23 33.55 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.863 2.065 . . . . 0.0 110.407 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.52 -22.28 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.425 2.75 . . . . 0.0 113.265 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -71.58 -8.52 54.52 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.258 1.423 . . . . 0.0 114.21 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -11.38 71.76 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.9 1.714 . . . . 0.0 113.877 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 m -67.52 146.6 53.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.417 1.887 . . . . 0.0 110.19 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.9 t -111.44 139.99 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.539 1.136 . . . . 0.0 110.079 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.6 tpp -140.61 162.97 34.11 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.987 2.115 . . . . 0.0 111.628 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.28 129.58 40.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.602 1.161 . . . . 0.0 112.16 172.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -49.85 -53.39 25.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.137 1.775 . . . . 0.0 113.803 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -68.15 -36.29 79.44 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.867 0.467 . . . . 0.0 111.602 -174.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -70.76 -45.16 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.706 0.803 . . . . 0.0 110.895 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.14 -46.04 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.402 1.001 . . . . 0.0 112.156 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.22 -32.72 73.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.277 0.944 . . . . 0.0 112.214 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.61 -34.57 74.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.869 0.758 . . . . 0.0 112.136 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -73.04 -35.61 66.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.157 0.89 . . . . 0.0 112.361 173.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.19 -35.42 73.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.388 0.994 . . . . 0.0 112.926 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.81 -19.59 64.29 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.996 0.918 . . . . 0.0 113.38 170.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -87.8 -43.32 11.94 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.831 1.252 . . . . 0.0 112.799 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 m -164.3 153.87 12.16 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.562 1.945 . . . . 0.0 111.006 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.25 58.45 6.64 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.328 3.352 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 p -147.96 158.5 44.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.766 1.627 . . . . 0.0 112.927 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -73.17 125.88 90.64 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 126.625 1.97 . . . . 0.0 111.579 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -59.35 -27.07 84.02 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.285 2.656 . . . . 0.0 115.319 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.16 -4.81 25.23 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -169.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -159.33 -17.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 74.99 25.56 1.37 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.353 1.861 . . . . 0.0 114.228 169.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -60.81 155.74 18.79 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.872 -0.518 . . . . 0.0 109.852 157.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -64.37 135.48 56.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 110.703 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.54 146.03 28.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.105 1.362 . . . . 0.0 109.977 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 m -144.89 154.07 42.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.963 1.705 . . . . 0.0 109.14 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.44 -23.51 57.72 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 p -74.28 -15.5 60.97 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.128 1.371 . . . . 0.0 113.798 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.3 mmt -86.87 -10.52 53.22 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.164 1.386 . . . . 0.0 112.928 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.29 154.33 21.33 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.399 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -156.38 125.32 3.03 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 109.971 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.67 138.48 35.01 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.429 2.086 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.3 t -91.0 117.25 67.78 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.608 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.7 -38.44 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.576 2.184 . . . . 0.0 113.031 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.34 -38.68 90.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.453 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.08 -44.03 61.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.593 -0.692 . . . . 0.0 111.519 173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.05 -43.32 99.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.989 1.268 . . . . 0.0 112.268 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.66 -36.9 84.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.983 1.313 . . . . 0.0 111.861 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -73.04 -36.95 67.03 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.57 -0.706 . . . . 0.0 112.9 174.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.75 -48.82 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.538 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.79 -32.24 73.4 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.809 0.731 . . . . 0.0 112.332 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.03 86.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.754 0.706 . . . . 0.0 112.372 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -71.9 -48.07 48.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.784 0.834 . . . . 0.0 111.817 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 54.6 mtm -58.15 -33.27 69.01 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 113.411 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -54.82 -45.54 74.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.706 0.802 . . . . 0.0 111.325 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -72.64 -24.22 61.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.714 -0.616 . . . . 0.0 112.53 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.94 -31.99 63.3 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.116 -0.99 . . . . 0.0 113.4 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -101.19 -20.33 15.33 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.7 m -79.55 59.31 2.94 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.5 1.12 . . . . 0.0 112.36 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 p -74.83 -19.13 60.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.736 1.214 . . . . 0.0 113.416 175.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -100.91 144.59 29.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.094 1.758 . . . . 0.0 111.618 171.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.535 0 C-N-CA 125.632 1.573 . . . . 0.0 112.825 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 CA--C 1.539 0.759 0 N-CA-C 113.619 0.584 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.93 66.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.186 0.898 . . . . 0.0 113.77 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -76.27 -9.31 58.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -167.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.47 158.11 34.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.173 1.389 . . . . 0.0 113.003 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -65.81 150.1 49.1 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.54 1.536 . . . . 0.0 112.257 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.5 136.7 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.268 1.027 . . . . 0.0 109.788 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.48 126.88 31.38 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.044 0.938 . . . . 0.0 111.109 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -107.01 27.81 8.64 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -60.56 -18.88 55.34 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.273 -1.517 . . . . 0.0 113.553 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -73.73 -8.65 56.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.369 1.468 . . . . 0.0 113.74 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 140.93 97.07 Favored Pre-proline 0 CA--C 1.552 1.052 0 O-C-N 121.231 -0.918 . . . . 0.0 111.737 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.55 157.44 52.65 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.89 3.06 . . . . 0.0 111.439 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.97 -27.97 67.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.657 1.183 . . . . 0.0 113.367 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.16 -17.83 62.52 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -97.61 -0.5 45.62 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.937 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -117.4 148.92 41.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.449 1.1 . . . . 0.0 112.662 -171.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.24 149.48 65.92 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 123.764 0.825 . . . . 0.0 111.636 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.71 -37.73 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.062 2.508 . . . . 0.0 113.111 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.57 -43.76 18.25 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.185 0.994 . . . . 0.0 112.397 -172.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 97.5 mtp -90.67 -11.66 39.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t0 58.2 30.91 20.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.031 2.133 . . . . 0.0 114.411 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -126.24 164.02 21.92 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.865 1.266 . . . . 0.0 111.91 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.82 115.44 8.16 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.098 1.359 . . . . 0.0 108.345 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -72.37 -31.06 65.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -164.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 p 57.06 -19.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 129.911 3.285 . . . . 0.0 116.821 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -129.81 76.56 78.16 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.906 2.082 . . . . 0.0 110.463 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.8 135.8 26.5 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.728 2.952 . . . . 0.0 111.078 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -133.21 133.88 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.365 1.866 . . . . 0.0 109.55 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -90.38 142.76 27.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.618 1.167 . . . . 0.0 112.492 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.72 162.0 32.43 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 127.709 2.403 . . . . 0.0 109.614 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.94 -22.39 42.23 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.538 2.826 . . . . 0.0 112.79 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.4 m -70.87 -6.66 39.88 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.63 79.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.066 1.793 . . . . 0.0 114.596 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -69.86 152.01 45.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.506 2.323 . . . . 0.0 111.739 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.8 142.31 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.714 1.206 . . . . 0.0 110.908 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 tpp -140.1 164.41 30.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.331 1.852 . . . . 0.0 111.432 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.3 137.5 53.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.386 1.074 . . . . 0.0 111.954 169.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -53.27 -47.96 68.69 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.791 1.236 . . . . 0.0 113.444 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -70.4 -39.48 74.47 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.703 -0.623 . . . . 0.0 112.626 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.06 -44.01 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.319 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -66.35 -43.16 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.162 0.892 . . . . 0.0 112.092 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.71 -33.75 72.93 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.807 1.185 . . . . 0.0 112.138 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -62.01 -41.91 98.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.98 0.912 . . . . 0.0 111.014 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -68.47 -42.88 78.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.137 0.426 . . . . 0.0 112.085 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.42 -34.61 77.1 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.83 -29.32 66.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.999 0.92 . . . . 0.0 112.572 171.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -88.88 -52.57 5.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.37 1.068 . . . . 0.0 112.33 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.0 m -150.81 141.17 14.44 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 125.315 1.446 . . . . 0.0 111.827 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -79.67 58.83 7.15 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 124.527 3.485 . . . . 0.0 111.593 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.7 p -141.7 160.49 40.08 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.162 2.185 . . . . 0.0 111.735 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.02 136.26 91.88 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 124.735 1.214 . . . . 0.0 111.721 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.95 -14.28 43.11 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.073 3.182 . . . . 0.0 115.358 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -129.46 -32.43 1.96 Allowed 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -23.83 16.72 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.776 1.23 . . . . 0.0 112.276 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 67.12 10.98 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.147 2.179 . . . . 0.0 115.114 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.43 155.97 35.99 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.545 0.738 . . . . 0.0 110.035 164.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.93 141.63 57.9 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.336 0.516 . . . . 0.0 112.19 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -151.38 126.81 10.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.269 1.028 . . . . 0.0 110.758 -173.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -123.29 153.39 40.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.152 1.781 . . . . 0.0 109.651 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.73 -26.21 61.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 113.363 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 p -66.83 -16.57 64.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.947 1.299 . . . . 0.0 114.209 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mmt -87.66 -11.6 47.95 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.73 1.212 . . . . 0.0 113.43 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.2 mt -84.87 147.94 26.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.16 1.384 . . . . 0.0 112.43 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -160.58 131.73 3.86 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.531 1.533 . . . . 0.0 109.676 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -71.83 142.39 39.12 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.973 2.449 . . . . 0.0 111.481 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.89 113.96 62.49 Favored Pre-proline 0 N--CA 1.48 1.075 0 C-N-CA 124.569 1.148 . . . . 0.0 110.541 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.17 -37.54 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.895 2.396 . . . . 0.0 112.978 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.55 -33.97 76.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.61 1.096 . . . . 0.0 112.863 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -78.09 -41.15 36.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.566 0.746 . . . . 0.0 111.453 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.51 -41.41 98.51 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.249 1.386 . . . . 0.0 112.365 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.38 -31.39 70.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.63 1.172 . . . . 0.0 112.538 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -73.16 -42.23 63.01 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.618 0.645 . . . . 0.0 112.495 171.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.92 -49.38 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.79 1.236 . . . . 0.0 111.08 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.65 -32.98 74.88 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.487 -0.768 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.73 -44.12 74.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.304 0.956 . . . . 0.0 111.845 175.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.24 -44.12 92.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.275 0.63 . . . . 0.0 112.203 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.0 mtm -62.43 -39.31 92.9 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.427 -0.796 . . . . 0.0 112.021 172.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -61.12 -43.11 99.38 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 112.168 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.04 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.204 0.911 . . . . 0.0 112.434 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -68.38 -36.62 79.44 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.804 0.841 . . . . 0.0 112.532 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -83.06 -34.72 26.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.606 1.562 . . . . 0.0 113.393 -173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.3 m -64.04 115.55 5.04 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.033 0.833 . . . . 0.0 113.105 -173.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 t -86.49 -32.29 20.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.408 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.92 155.9 28.81 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.798 1.639 . . . . 0.0 112.577 174.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.086 1.754 . . . . 0.0 111.681 -176.336 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo . . . . . 0 CA--C 1.541 0.827 0 N-CA-C 113.538 0.553 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.01 -9.06 68.22 Favored Glycine 0 N--CA 1.477 1.416 0 C-N-CA 124.588 1.09 . . . . 0.0 113.755 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -160.22 166.04 30.38 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.788 2.035 . . . . 0.0 110.781 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.26 172.5 17.9 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 -172.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -156.86 162.02 39.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.685 1.994 . . . . 0.0 110.605 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.6 mm -109.12 147.64 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.056 1.343 . . . . 0.0 110.424 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -75.16 108.17 7.74 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.129 1.372 . . . . 0.0 111.161 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.71 25.06 2.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.882 1.273 . . . . 0.0 113.943 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -60.34 -21.38 62.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.96 1.304 . . . . 0.0 113.717 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -77.8 -6.54 54.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.301 1.44 . . . . 0.0 113.723 175.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.85 141.97 95.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 119.069 0.85 . . . . 0.0 112.492 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.62 158.23 51.09 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.708 2.938 . . . . 0.0 111.269 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.08 -16.9 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.59 -18.36 51.84 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.556 1.143 . . . . 0.0 113.689 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -99.6 -21.19 15.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.142 1.377 . . . . 0.0 112.696 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -92.57 131.99 37.23 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 111.257 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.35 137.42 55.97 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.18 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.85 -35.63 55.1 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.652 2.235 . . . . 0.0 114.601 -173.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -85.5 -37.7 19.39 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.181 0.992 . . . . 0.0 111.229 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.87 -30.22 66.54 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.414 0.686 . . . . 0.0 112.647 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t0 55.77 37.09 28.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.551 2.34 . . . . 0.0 112.742 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -163.65 169.24 18.82 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.565 1.946 . . . . 0.0 110.498 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.46 120.31 10.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.571 1.548 . . . . 0.0 110.372 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -173.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 p 65.48 -26.12 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.131 2.972 . . . . 0.0 114.936 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.72 82.42 63.86 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.655 1.982 . . . . 0.0 110.371 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.01 135.06 22.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.873 3.049 . . . . 0.0 111.062 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.55 130.86 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.97 1.308 . . . . 0.0 110.107 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 ttp-105 -89.51 138.13 31.73 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.169 1.788 . . . . 0.0 111.356 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -100.78 162.32 21.05 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 126.06 1.744 . . . . 0.0 110.683 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.96 -22.48 55.53 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.162 2.575 . . . . 0.0 113.818 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.8 p -77.41 -0.77 27.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.319 1.447 . . . . 0.0 114.397 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.34 -3.4 85.4 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.45 1.5 . . . . 0.0 114.448 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -71.4 150.1 45.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.868 2.067 . . . . 0.0 111.006 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.3 t -128.42 126.77 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 109.76 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -130.62 166.87 19.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.799 1.64 . . . . 0.0 111.453 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.44 136.8 57.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.223 1.409 . . . . 0.0 112.685 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -52.19 -49.53 63.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.104 1.762 . . . . 0.0 113.189 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.9 m -69.64 -37.72 76.87 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.759 -0.588 . . . . 0.0 111.794 -176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.28 -44.68 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.25 -0.907 . . . . 0.0 111.58 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.57 -42.08 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.743 1.156 . . . . 0.0 112.407 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.8 -32.01 68.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.048 0.84 . . . . 0.0 112.442 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -66.47 -47.34 73.4 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.789 0.722 . . . . 0.0 110.815 172.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -63.02 -34.68 78.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.55 0.614 . . . . 0.0 112.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 mt -55.54 -34.83 65.05 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.235 1.014 . . . . 0.0 113.49 172.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.41 -27.33 63.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.98 0.912 . . . . 0.0 112.73 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -78.03 -42.91 30.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.949 0.899 . . . . 0.0 111.702 174.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -167.53 154.14 7.73 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 126.564 1.946 . . . . 0.0 111.239 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.02 62.43 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.284 3.323 . . . . 0.0 110.802 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 p -145.31 158.9 43.73 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.857 1.663 . . . . 0.0 112.33 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -66.65 136.05 94.64 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 127.143 2.177 . . . . 0.0 111.261 172.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -20.1 50.73 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.783 2.989 . . . . 0.0 115.26 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -120.03 -38.46 2.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.261 0.937 . . . . 0.0 113.355 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -93.84 -23.22 18.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.304 0.641 . . . . 0.0 112.496 -174.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 63.44 15.23 8.59 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.195 2.198 . . . . 0.0 114.473 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -60.58 152.57 25.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.075 160.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 139.14 58.48 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.185 0.594 . . . . 0.0 111.801 174.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -154.78 135.91 13.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.804 1.241 . . . . 0.0 109.913 -167.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 p -128.75 157.57 41.06 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.757 1.623 . . . . 0.0 111.651 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.14 -24.12 62.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.657 1.583 . . . . 0.0 114.224 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -75.1 -16.49 60.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.964 1.306 . . . . 0.0 113.573 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.5 mmm -91.05 -6.42 53.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.015 1.326 . . . . 0.0 113.364 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.8 152.81 19.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.723 1.609 . . . . 0.0 112.282 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -160.27 132.85 4.46 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.254 1.422 . . . . 0.0 109.929 173.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 143.74 53.65 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.874 2.383 . . . . 0.0 111.56 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.8 t -93.52 111.63 53.17 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.141 0.976 . . . . 0.0 110.834 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.82 -35.71 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.625 2.217 . . . . 0.0 113.011 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.26 -30.72 71.21 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.99 0.814 . . . . 0.0 112.884 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -77.74 -43.79 29.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.741 0.7 . . . . 0.0 111.208 170.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.1 -40.49 97.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.174 0.897 . . . . 0.0 112.734 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.05 -33.09 73.92 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.516 1.126 . . . . 0.0 112.125 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.67 -41.91 62.04 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -58.96 -49.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -64.93 -32.44 74.15 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.85 79.73 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.683 0.674 . . . . 0.0 111.906 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -66.49 -42.72 87.01 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.354 0.661 . . . . 0.0 111.997 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.12 -38.75 83.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.278 1.031 . . . . 0.0 112.244 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -68.07 -43.63 78.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.574 1.15 . . . . 0.0 111.678 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.46 -39.64 94.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 111.895 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -60.34 -17.84 45.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.379 1.472 . . . . 0.0 114.759 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -77.9 -23.28 48.76 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.035 -1.041 . . . . 0.0 112.038 172.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.0 m -110.37 -3.47 16.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.638 1.575 . . . . 0.0 113.766 -175.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.4 p -77.08 11.68 1.73 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.978 1.711 . . . . 0.0 115.256 -172.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.74 -27.57 68.99 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.981 1.312 . . . . 0.0 113.051 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.5 t60 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.337 1.455 . . . . 0.0 111.849 175.486 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 CA--C 1.543 0.958 0 N-CA-C 112.983 0.34 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.57 -31.24 10.53 Favored Glycine 0 N--CA 1.477 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 113.278 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -86.37 -21.79 27.0 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.003 0.901 . . . . 0.0 113.181 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.53 154.7 10.23 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.33 2.252 . . . . 0.0 110.634 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -129.21 163.54 25.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.839 1.656 . . . . 0.0 111.032 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.46 139.55 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.916 1.286 . . . . 0.0 109.565 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -83.78 128.6 34.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.125 0.97 . . . . 0.0 111.279 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -111.58 23.18 14.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -63.13 -13.96 42.9 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.117 -1.614 . . . . 0.0 113.657 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -76.87 -6.23 51.61 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.906 2.082 . . . . 0.0 114.023 171.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 146.06 83.67 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 121.037 -1.039 . . . . 0.0 113.333 -176.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.59 155.67 49.79 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.729 2.953 . . . . 0.0 111.108 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.83 -25.88 67.78 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.98 -18.3 62.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.452 1.101 . . . . 0.0 113.549 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -99.02 4.24 47.09 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.414 1.486 . . . . 0.0 112.853 173.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -121.65 150.64 41.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.146 0.885 . . . . 0.0 112.784 -169.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -82.71 146.67 53.47 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 123.962 0.905 . . . . 0.0 112.443 169.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.17 -28.86 1.78 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.088 2.525 . . . . 0.0 113.37 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.61 -47.9 20.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 111.043 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.9 mtt -100.07 -4.11 30.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.466 1.507 . . . . 0.0 113.599 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 67.66 11.29 8.3 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 128.226 2.611 . . . . 0.0 114.733 169.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t -123.72 170.49 10.45 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.352 1.461 . . . . 0.0 112.317 -167.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.39 116.31 8.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.946 1.299 . . . . 0.0 109.413 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -74.78 -31.5 61.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -165.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 57.47 -23.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 130.221 3.408 . . . . 0.0 116.76 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -122.72 77.13 47.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 126.55 1.94 . . . . 0.0 110.701 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.19 135.94 28.18 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.681 2.921 . . . . 0.0 111.179 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -132.82 132.92 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.761 1.624 . . . . 0.0 109.826 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -89.43 139.49 30.46 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.822 1.649 . . . . 0.0 111.303 -174.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.47 157.65 35.86 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 126.881 2.072 . . . . 0.0 109.79 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.07 -25.45 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.02 2.48 . . . . 0.0 113.075 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 m -77.46 -0.71 27.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.42 1.088 . . . . 0.0 113.741 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -7.97 69.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.241 1.4 . . . . 0.0 114.868 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 m -64.55 149.43 48.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.551 1.941 . . . . 0.0 110.264 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.3 t -118.87 137.81 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.976 1.311 . . . . 0.0 110.23 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 tpp -134.34 165.26 25.56 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.665 1.986 . . . . 0.0 110.54 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.47 136.35 49.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.365 1.066 . . . . 0.0 111.146 169.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -48.58 -52.33 23.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.742 1.617 . . . . 0.0 113.133 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -68.46 -38.64 81.27 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.637 -0.665 . . . . 0.0 111.688 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.0 mt -65.25 -46.27 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.111 0.964 . . . . 0.0 111.658 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.99 -47.35 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.905 1.23 . . . . 0.0 111.487 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.24 -32.94 74.31 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.406 1.003 . . . . 0.0 112.434 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -69.1 -33.29 73.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.549 0.74 . . . . 0.0 112.279 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -73.5 -41.71 62.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.168 0.895 . . . . 0.0 111.838 172.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.72 -36.44 74.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.551 1.14 . . . . 0.0 113.308 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -33.25 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.584 1.153 . . . . 0.0 112.982 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -87.78 -47.0 8.97 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.36 1.064 . . . . 0.0 113.184 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.7 m -151.14 146.37 19.04 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.74 1.616 . . . . 0.0 112.085 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -79.03 59.93 7.59 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.411 3.407 . . . . 0.0 111.33 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.4 p -148.22 159.67 43.73 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.561 1.944 . . . . 0.0 111.602 -172.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.65 142.45 94.0 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 125.824 1.65 . . . . 0.0 112.134 173.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -67.32 -18.86 50.26 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.059 3.173 . . . . 0.0 116.353 -174.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.76 -32.29 2.37 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.47 -28.34 18.64 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.399 1.08 . . . . 0.0 111.715 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 61.92 15.2 6.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.174 2.189 . . . . 0.0 114.478 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -61.65 152.31 31.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.976 . . . . 0.0 110.026 160.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -66.13 140.56 58.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.913 0.485 . . . . 0.0 111.196 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.83 137.77 19.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.115 1.366 . . . . 0.0 109.315 -167.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 m -129.94 151.51 50.42 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.021 1.728 . . . . 0.0 109.252 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.27 -32.19 64.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.053 0.941 . . . . 0.0 112.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -65.99 -17.11 64.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.106 1.362 . . . . 0.0 113.973 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 mmt -87.96 -9.27 54.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.522 1.129 . . . . 0.0 113.668 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 mt -82.64 151.57 26.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.029 1.332 . . . . 0.0 111.994 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -156.56 112.44 2.03 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.004 1.322 . . . . 0.0 110.27 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -57.22 137.87 83.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.954 2.436 . . . . 0.0 112.128 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.8 112.89 58.83 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.131 0.972 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.9 -37.13 0.63 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.893 2.396 . . . . 0.0 112.5 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.06 69.33 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.964 0.802 . . . . 0.0 112.933 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.62 -42.7 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.583 0.753 . . . . 0.0 111.558 171.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.8 -39.39 90.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.326 0.966 . . . . 0.0 112.808 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.49 -31.51 70.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.524 1.129 . . . . 0.0 112.445 174.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.49 -40.33 64.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.288 0.495 . . . . 0.0 112.237 171.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -59.0 -50.35 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.651 1.18 . . . . 0.0 111.236 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.44 -32.56 74.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.488 0.586 . . . . 0.0 112.553 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.56 -43.98 75.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.184 0.593 . . . . 0.0 111.875 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -62.97 -42.99 99.99 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.454 0.702 . . . . 0.0 112.154 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mtp -58.39 -40.16 81.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.324 1.05 . . . . 0.0 111.882 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -64.6 -46.14 83.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.433 0.693 . . . . 0.0 111.905 173.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -36.6 81.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.07 0.85 . . . . 0.0 112.764 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.4 -11.0 28.59 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.78 -14.46 54.4 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.038 -1.039 . . . . 0.0 112.73 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.3 p -68.53 -5.12 17.8 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -172.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 p -67.85 -28.92 67.96 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.75 -1.219 . . . . 0.0 112.936 169.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.03 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 128.278 2.631 . . . . 0.0 113.585 170.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 127.007 2.123 . . . . 0.0 112.658 178.628 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 CA--C 1.536 0.608 0 N-CA-C 112.951 0.327 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.14 13.49 83.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 123.521 0.581 . . . . 0.0 113.352 -170.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -67.67 -16.64 64.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.651 1.58 . . . . 0.0 114.578 -163.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 -14.03 59.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.104 1.362 . . . . 0.0 114.157 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -89.16 158.57 17.86 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.183 0.993 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.8 mm -120.68 159.86 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.802 2.041 . . . . 0.0 109.771 -177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -72.33 99.87 2.51 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.986 -1.071 . . . . 0.0 110.751 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -84.55 14.62 4.39 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.8 m -59.66 -18.1 39.22 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.713 -1.242 . . . . 0.0 112.995 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.46 -6.29 49.34 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.418 1.887 . . . . 0.0 114.023 173.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 150.27 83.46 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.0 0.92 . . . . 0.0 113.17 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.92 156.56 62.62 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 123.479 2.786 . . . . 0.0 110.724 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.62 -23.88 67.29 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 113.585 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.12 -20.6 62.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.867 1.267 . . . . 0.0 114.036 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -98.98 -11.26 21.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.884 1.274 . . . . 0.0 113.223 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -99.05 138.48 36.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.437 1.095 . . . . 0.0 111.409 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -78.68 133.09 63.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.549 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -72.27 -11.44 26.82 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.907 2.405 . . . . 0.0 115.198 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 tp -79.84 -60.75 2.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.546 1.521 . . . . 0.0 110.938 171.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.29 -18.33 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 74.56 -1.64 3.03 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.097 2.559 . . . . 0.0 114.031 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 p -93.57 156.29 16.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.667 1.987 . . . . 0.0 112.226 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.61 116.7 5.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 109.152 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -69.21 -37.6 78.15 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p 64.22 -26.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 129.127 2.971 . . . . 0.0 115.363 -177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.45 78.67 20.32 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 127.256 2.223 . . . . 0.0 109.99 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.4 134.03 18.35 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.765 2.31 . . . . 0.0 110.197 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.16 128.26 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.736 1.214 . . . . 0.0 109.386 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -90.02 137.55 32.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.193 1.797 . . . . 0.0 110.822 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.45 162.49 25.82 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.638 2.375 . . . . 0.0 109.92 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -64.01 -23.03 67.91 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.451 2.767 . . . . 0.0 112.992 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p -80.01 -4.35 52.25 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.542 1.537 . . . . 0.0 113.93 173.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.42 -5.81 83.71 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.515 1.531 . . . . 0.0 114.296 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -65.09 150.18 48.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.08 2.152 . . . . 0.0 110.297 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.86 129.15 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.199 1.0 . . . . 0.0 110.662 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -130.19 163.68 26.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.316 1.846 . . . . 0.0 112.148 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.24 130.46 43.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.858 1.263 . . . . 0.0 111.22 169.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -43.98 -47.59 8.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.016 1.726 . . . . 0.0 113.438 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.1 m -70.53 -30.76 67.59 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.812 0.845 . . . . 0.0 112.754 -176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.5 mt -79.14 -43.29 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.317 -0.864 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tp -64.13 -44.66 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.846 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.74 -32.79 74.32 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.947 1.249 . . . . 0.0 112.485 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.16 -44.11 89.58 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.782 0.719 . . . . 0.0 110.885 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.2 -42.19 84.57 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.833 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.76 -36.3 76.36 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.07 -34.79 78.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.99 0.916 . . . . 0.0 112.126 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 -43.2 26.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.216 1.006 . . . . 0.0 113.389 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -162.77 150.15 11.2 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 126.269 1.828 . . . . 0.0 111.4 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.74 66.05 8.66 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.094 3.196 . . . . 0.0 111.328 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 p -147.41 153.03 39.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.655 1.582 . . . . 0.0 112.168 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.31 139.78 97.57 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.752 2.021 . . . . 0.0 111.792 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.25 -24.94 43.29 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.698 2.932 . . . . 0.0 114.899 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.76 -39.19 2.76 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.269 0.94 . . . . 0.0 113.43 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.02 -25.5 19.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.176 0.99 . . . . 0.0 112.388 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 69.3 10.93 8.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.319 2.248 . . . . 0.0 114.294 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -56.5 147.67 21.37 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.884 1.274 . . . . 0.0 110.402 161.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.06 140.15 58.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.234 0.614 . . . . 0.0 110.46 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.94 140.22 21.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.853 0.861 . . . . 0.0 111.11 -164.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.8 m -132.74 151.81 51.9 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.298 1.839 . . . . 0.0 109.327 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.71 -33.55 48.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.502 1.121 . . . . 0.0 113.508 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -64.61 -16.91 63.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.968 1.307 . . . . 0.0 114.504 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.2 mtt -85.43 -12.52 51.8 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.59 1.156 . . . . 0.0 113.133 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -84.4 151.59 24.58 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.29 1.436 . . . . 0.0 112.692 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -148.08 108.66 3.7 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.801 1.241 . . . . 0.0 110.082 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.82 121.79 10.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.251 2.634 . . . . 0.0 110.489 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.09 117.07 66.11 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 123.374 0.67 . . . . 0.0 110.99 -168.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.8 -32.57 1.07 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.056 2.504 . . . . 0.0 114.008 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -41.27 94.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.662 1.119 . . . . 0.0 111.534 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.08 -39.01 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.507 -0.746 . . . . 0.0 112.056 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -62.59 -44.86 95.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.627 1.103 . . . . 0.0 112.143 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.25 -32.6 73.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.929 1.292 . . . . 0.0 112.125 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.48 -41.61 65.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.257 0.481 . . . . 0.0 112.223 172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt -60.66 -50.0 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.583 1.153 . . . . 0.0 111.649 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.37 -32.04 73.47 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.821 0.737 . . . . 0.0 112.452 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.89 83.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.031 0.533 . . . . 0.0 111.943 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -67.16 -41.46 85.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.78 -0.575 . . . . 0.0 111.856 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 98.2 mtp -61.09 -42.72 99.03 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.402 -0.811 . . . . 0.0 111.503 173.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.76 -41.54 86.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 112.227 173.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.9 -39.76 94.92 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.326 0.65 . . . . 0.0 111.905 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -66.74 -39.13 87.81 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.336 -0.853 . . . . 0.0 113.292 173.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.04 -36.63 77.92 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.641 1.177 . . . . 0.0 111.816 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 t 76.65 -38.79 0.33 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.692 2.397 . . . . 0.0 114.372 164.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 77.07 -3.89 2.43 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.699 2.4 . . . . 0.0 113.268 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -147.16 151.4 36.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.574 1.95 . . . . 0.0 111.6 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.5 t60 . . . . . 0 C--O 1.255 1.38 0 C-N-CA 126.101 1.761 . . . . 0.0 111.565 -177.658 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 CA--C 1.537 0.66 0 N-CA-C 113.844 0.671 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.01 9.74 56.66 Favored Glycine 0 N--CA 1.477 1.42 0 C-N-CA 125.459 1.504 . . . . 0.0 114.034 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -156.66 172.6 18.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.171 1.389 . . . . 0.0 112.179 -172.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.89 171.6 14.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.587 1.555 . . . . 0.0 112.325 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -156.51 168.64 26.76 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.614 1.565 . . . . 0.0 110.134 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.52 137.6 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.858 1.263 . . . . 0.0 111.272 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.67 102.88 5.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.555 1.142 . . . . 0.0 111.363 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -83.51 24.36 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.284 1.433 . . . . 0.0 114.364 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -58.19 -21.32 46.98 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.713 -1.242 . . . . 0.0 113.286 167.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.17 -6.17 50.08 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.042 2.137 . . . . 0.0 113.703 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 142.26 98.34 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 121.023 -1.048 . . . . 0.0 112.208 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.78 156.94 63.97 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.615 2.877 . . . . 0.0 111.249 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.7 -21.58 65.87 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.3 -15.41 60.0 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 113.753 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -94.32 -20.62 19.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.01 1.324 . . . . 0.0 112.922 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm105 -95.54 133.23 39.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 111.978 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.46 137.8 59.41 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.946 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.25 -14.02 42.41 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.215 2.61 . . . . 0.0 115.858 -172.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -79.93 -60.73 2.23 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.825 1.648 . . . . 0.0 111.148 170.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.15 -19.27 30.36 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.54 41.07 32.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.669 1.988 . . . . 0.0 113.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.4 t -145.34 162.42 37.29 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.007 1.723 . . . . 0.0 109.884 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 119.21 6.42 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.513 1.125 . . . . 0.0 110.853 -171.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -71.95 -35.62 69.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m 71.48 -29.48 0.19 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.716 2.407 . . . . 0.0 113.21 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -125.68 80.34 66.65 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 127.413 2.285 . . . . 0.0 109.965 174.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.32 134.89 25.64 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.049 2.499 . . . . 0.0 110.067 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -131.28 137.83 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.535 1.534 . . . . 0.0 109.819 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -89.71 131.29 35.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.758 2.023 . . . . 0.0 110.143 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.02 161.26 28.87 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.901 1.68 . . . . 0.0 109.888 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -66.75 -21.87 50.67 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.411 2.741 . . . . 0.0 113.448 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 p -74.89 -5.81 45.74 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.49 1.36 74.74 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.672 1.606 . . . . 0.0 114.435 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -70.06 140.95 52.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.347 1.459 . . . . 0.0 110.36 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -103.39 137.8 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.743 1.217 . . . . 0.0 109.564 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.6 ttm -151.06 159.17 44.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.386 1.475 . . . . 0.0 111.257 -173.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -67.75 128.29 35.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.616 1.166 . . . . 0.0 110.979 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -46.25 -46.89 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.858 1.663 . . . . 0.0 113.101 173.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -69.4 -37.55 77.55 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 111.974 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.8 mt -73.68 -41.2 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.94 -42.28 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.426 -0.796 . . . . 0.0 112.286 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 pp -69.26 -32.05 70.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.825 1.193 . . . . 0.0 112.045 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -65.0 -46.67 80.45 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.476 0.71 . . . . 0.0 110.415 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -68.93 -34.95 76.21 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.37 -0.831 . . . . 0.0 112.518 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.4 mt -57.49 -35.21 69.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.06 0.944 . . . . 0.0 112.897 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.72 -42.55 97.89 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.174 0.99 . . . . 0.0 111.172 171.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -67.57 -45.22 76.21 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 113.501 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -163.73 153.08 12.32 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 126.105 1.762 . . . . 0.0 111.596 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.48 51.69 3.63 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.607 3.538 . . . . 0.0 111.679 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 p -144.81 160.58 41.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.383 1.873 . . . . 0.0 112.59 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.33 132.15 91.61 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 126.636 1.974 . . . . 0.0 111.605 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -64.82 -23.75 62.13 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.746 2.964 . . . . 0.0 115.304 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -110.34 -39.47 4.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.414 1.086 . . . . 0.0 112.577 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -102.0 -19.52 15.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.75 0.82 . . . . 0.0 112.895 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 66.84 12.27 8.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.703 2.001 . . . . 0.0 114.823 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -65.0 152.24 43.89 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.261 1.024 . . . . 0.0 110.343 166.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.72 140.11 58.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.106 0.562 . . . . 0.0 111.004 173.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -152.33 139.94 19.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.935 0.894 . . . . 0.0 110.248 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -134.47 152.56 51.87 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.013 1.725 . . . . 0.0 109.902 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -54.06 -32.32 54.28 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.942 1.297 . . . . 0.0 113.354 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 p -70.3 -14.57 62.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.008 1.323 . . . . 0.0 114.188 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.2 mtt -88.23 -6.79 57.62 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.053 1.341 . . . . 0.0 112.851 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.29 152.31 22.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.659 1.584 . . . . 0.0 112.189 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -158.99 131.77 4.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.905 1.682 . . . . 0.0 109.153 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.5 142.54 49.36 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.585 2.19 . . . . 0.0 111.283 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -89.27 112.51 51.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.388 1.075 . . . . 0.0 109.932 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.12 -38.62 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.601 2.201 . . . . 0.0 112.79 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.75 -20.69 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -92.82 -45.59 7.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.554 0.742 . . . . 0.0 111.604 170.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -60.63 -40.34 91.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.693 1.133 . . . . 0.0 112.672 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.87 -34.46 77.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.189 0.996 . . . . 0.0 112.559 176.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -73.04 -41.22 64.41 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.17 0.588 . . . . 0.0 112.245 173.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.64 -51.27 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.501 1.121 . . . . 0.0 111.268 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.92 -32.49 74.02 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.22 75.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.83 0.852 . . . . 0.0 111.804 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -64.95 -45.46 85.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.873 0.869 . . . . 0.0 112.136 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -57.75 -36.02 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.894 0.878 . . . . 0.0 112.281 173.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -68.56 -45.56 71.78 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.044 0.937 . . . . 0.0 111.931 174.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.15 -38.83 92.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.939 0.896 . . . . 0.0 112.547 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.25 -26.09 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.093 -1.004 . . . . 0.0 113.501 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.55 -34.85 60.75 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.275 -0.891 . . . . 0.0 112.272 172.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.8 m -71.71 -19.98 61.98 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.261 0.937 . . . . 0.0 113.369 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -70.51 -13.19 62.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.288 1.435 . . . . 0.0 114.095 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.65 130.92 55.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.609 1.563 . . . . 0.0 110.421 171.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.134 1.774 . . . . 0.0 112.458 -170.792 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 CA--C 1.541 0.854 0 N-CA-C 112.823 0.278 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.87 -17.59 78.34 Favored Glycine 0 N--CA 1.476 1.32 0 C-N-CA 126.536 2.017 . . . . 0.0 114.171 -1.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m 75.41 -4.59 2.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.285 2.234 . . . . 0.0 114.91 167.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.78 163.8 39.37 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.739 1.616 . . . . 0.0 112.137 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.25 165.04 22.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.419 1.888 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -81.02 142.98 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.3 1.04 . . . . 0.0 111.136 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -81.27 93.97 6.63 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.743 1.217 . . . . 0.0 110.297 171.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -78.17 19.46 0.44 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -63.35 -9.77 13.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.404 -1.435 . . . . 0.0 113.616 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.42 -8.69 59.77 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.621 1.968 . . . . 0.0 113.501 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 149.93 90.3 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.718 -1.239 . . . . 0.0 112.998 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.06 156.67 59.46 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.519 2.813 . . . . 0.0 111.187 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.56 -31.17 69.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.447 1.099 . . . . 0.0 113.273 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -92.2 -5.62 52.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.459 1.103 . . . . 0.0 112.599 172.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -115.99 136.96 52.55 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.363 1.065 . . . . 0.0 112.297 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.59 141.55 48.7 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.031 0.932 . . . . 0.0 112.067 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.14 -35.15 66.13 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.689 2.259 . . . . 0.0 114.537 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 tp -72.6 -53.97 10.42 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.428 0.558 . . . . 0.0 111.662 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mmm -89.37 -10.81 45.23 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t70 69.13 8.77 7.02 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.297 2.239 . . . . 0.0 114.436 172.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -137.21 172.91 12.28 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.276 1.43 . . . . 0.0 111.924 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.35 121.83 11.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.452 1.901 . . . . 0.0 111.093 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -71.9 -29.2 64.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 p 66.96 -28.82 0.14 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 129.123 2.969 . . . . 0.0 115.005 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -132.84 89.13 35.62 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 127.349 2.26 . . . . 0.0 109.157 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.73 135.33 14.27 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.567 2.845 . . . . 0.0 111.641 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.52 126.98 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.906 1.282 . . . . 0.0 109.81 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -89.85 136.88 32.78 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.338 1.855 . . . . 0.0 110.944 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 165.3 17.49 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 127.339 2.255 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.89 -21.77 73.37 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.067 2.511 . . . . 0.0 113.603 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.2 p -71.57 -12.41 61.35 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.682 1.193 . . . . 0.0 114.184 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.16 -3.86 85.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.55 1.548 . . . . 0.0 114.056 -172.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.5 m -75.34 148.12 39.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.185 1.394 . . . . 0.0 109.757 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.8 t -116.08 132.74 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.352 1.061 . . . . 0.0 110.356 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -126.4 165.97 18.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.853 2.061 . . . . 0.0 111.725 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.92 129.89 41.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.282 1.433 . . . . 0.0 111.556 168.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -47.26 -53.73 12.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 113.419 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -70.61 -34.26 71.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.116 0.566 . . . . 0.0 111.455 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.72 -46.03 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.727 0.694 . . . . 0.0 110.213 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.38 -43.82 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.358 0.981 . . . . 0.0 112.244 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.32 -33.41 73.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.121 0.873 . . . . 0.0 112.004 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.17 76.94 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.321 0.964 . . . . 0.0 111.604 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.0 -33.77 74.95 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.342 0.974 . . . . 0.0 112.583 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.16 -35.36 67.1 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.82 1.248 . . . . 0.0 113.492 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -25.51 64.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.717 0.807 . . . . 0.0 112.549 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.1 -53.1 5.77 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.067 0.947 . . . . 0.0 111.121 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -152.35 144.29 16.49 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 125.262 1.425 . . . . 0.0 111.719 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.71 55.43 5.67 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.191 3.261 . . . . 0.0 110.571 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -145.24 160.74 41.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.189 1.396 . . . . 0.0 112.411 -168.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -64.06 135.95 96.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 125.627 1.571 . . . . 0.0 110.551 170.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.49 -13.79 30.41 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.661 2.907 . . . . 0.0 115.601 -172.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -125.17 -28.42 3.41 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -105.68 -31.55 8.85 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.606 1.562 . . . . 0.0 111.906 -175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.268 81.4 mtt-85 66.43 23.82 10.51 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.214 1.805 . . . . 0.0 114.559 166.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.96 165.59 19.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 110.293 150.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -60.79 147.72 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.022 0.929 . . . . 0.0 112.482 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -156.25 134.03 11.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.138 1.775 . . . . 0.0 109.546 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -129.54 151.41 50.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.153 1.381 . . . . 0.0 109.379 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.25 -23.09 65.4 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 p -71.62 -18.68 62.19 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.64 1.176 . . . . 0.0 113.344 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.7 mmt -91.5 -9.57 43.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 113.112 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.49 148.96 27.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.328 1.451 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -150.39 124.81 4.59 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 124.546 1.138 . . . . 0.0 110.046 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.11 119.69 6.65 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.728 2.285 . . . . 0.0 109.117 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.4 116.66 66.72 Favored Pre-proline 0 N--CA 1.477 0.887 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.833 -170.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.67 -33.56 1.22 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.902 2.401 . . . . 0.0 114.021 -168.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.98 -37.77 88.64 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.758 1.163 . . . . 0.0 112.048 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -41.56 56.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.03 0.932 . . . . 0.0 110.649 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.99 -43.43 98.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.208 -0.932 . . . . 0.0 112.398 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.34 -36.01 82.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.503 1.121 . . . . 0.0 111.632 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -68.89 -46.6 67.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.904 0.482 . . . . 0.0 111.22 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.28 -47.91 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.015 0.926 . . . . 0.0 112.009 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.731 0.696 . . . . 0.0 112.687 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.8 65.31 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.327 0.512 . . . . 0.0 111.538 169.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -61.91 -40.62 96.1 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.298 0.639 . . . . 0.0 112.635 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.7 mtm -60.14 -38.32 82.74 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.983 -1.073 . . . . 0.0 112.044 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.29 -42.32 83.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.415 0.686 . . . . 0.0 111.826 174.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.44 -39.0 85.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.543 0.737 . . . . 0.0 112.225 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.4 -34.7 70.6 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.03 -39.45 90.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.808 0.843 . . . . 0.0 111.198 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t 131.27 138.66 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 131.126 3.77 . . . . 0.0 111.716 163.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 p -88.17 -12.12 44.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.096 1.358 . . . . 0.0 113.315 173.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -81.42 127.99 33.38 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.732 1.213 . . . . 0.0 111.304 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.7 t60 . . . . . 0 C--O 1.256 1.402 0 C-N-CA 124.882 1.273 . . . . 0.0 112.233 -175.553 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.543 0.932 0 N-CA-C 113.96 0.715 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.3 0.08 89.87 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.079 1.323 . . . . 0.0 115.059 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -71.08 -8.67 55.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.484 1.514 . . . . 0.0 114.457 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.32 161.28 38.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.921 1.688 . . . . 0.0 111.929 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.79 164.99 19.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.114 1.366 . . . . 0.0 112.213 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.64 -35.04 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.579 1.151 . . . . 0.0 112.313 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.7 t70 75.01 -9.79 1.32 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.734 2.814 . . . . 0.0 114.787 174.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 54.14 28.5 9.06 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.318 2.247 . . . . 0.0 115.51 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.4 m -58.03 -23.52 54.61 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.999 1.32 . . . . 0.0 113.41 170.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.89 -9.61 59.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.785 1.634 . . . . 0.0 113.533 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.4 147.88 98.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.224 -0.923 . . . . 0.0 112.014 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -71.29 157.22 57.49 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.389 2.726 . . . . 0.0 111.291 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.07 -19.42 65.22 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.89 -17.47 57.27 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 173.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -98.56 -16.57 19.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.661 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -97.09 131.46 43.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.756 1.222 . . . . 0.0 111.548 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.81 140.32 40.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.881 0.872 . . . . 0.0 111.279 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.08 -38.81 54.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 123.268 2.645 . . . . 0.0 114.58 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 tp -87.64 -35.25 18.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.0 0.92 . . . . 0.0 111.498 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 ttt -66.84 -32.16 73.25 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.56 0.744 . . . . 0.0 112.39 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t0 60.68 32.29 20.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.0 2.12 . . . . 0.0 112.587 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -168.56 174.89 6.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.024 2.13 . . . . 0.0 111.154 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.31 121.5 12.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.737 1.615 . . . . 0.0 110.547 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -68.09 -37.95 81.78 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m 73.35 -34.52 0.29 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.041 2.536 . . . . 0.0 113.044 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.55 83.38 41.22 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 127.154 2.182 . . . . 0.0 109.97 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.74 135.84 20.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.146 2.564 . . . . 0.0 111.416 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.98 125.83 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.835 1.254 . . . . 0.0 109.661 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -90.46 136.36 33.11 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.703 1.201 . . . . 0.0 111.369 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.27 163.58 20.4 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 127.092 2.157 . . . . 0.0 110.64 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.59 -23.53 56.95 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.966 2.444 . . . . 0.0 113.883 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -71.22 -8.16 51.72 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 173.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.22 -5.11 83.03 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.506 1.527 . . . . 0.0 113.805 -174.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 m -68.74 147.46 51.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.412 1.885 . . . . 0.0 109.456 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.4 t -122.33 130.91 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.165 0.986 . . . . 0.0 110.068 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -123.26 163.38 20.81 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 111.923 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.77 133.81 55.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.323 1.049 . . . . 0.0 112.242 165.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -47.3 -54.69 10.36 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.621 1.568 . . . . 0.0 112.846 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -68.29 -33.64 74.71 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.522 -0.736 . . . . 0.0 111.999 -171.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -73.44 -44.21 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.109 -0.994 . . . . 0.0 111.956 175.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.78 -41.21 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 119.974 1.261 . . . . 0.0 111.545 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.93 -33.99 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.617 0.644 . . . . 0.0 112.212 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 tpt85 -70.68 -33.48 70.96 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.138 0.881 . . . . 0.0 112.366 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.3 -38.05 68.83 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.761 0.709 . . . . 0.0 111.861 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.66 -36.55 69.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.067 0.947 . . . . 0.0 112.85 171.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.93 -22.4 65.06 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.291 1.036 . . . . 0.0 113.417 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.35 -44.16 11.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.772 0.829 . . . . 0.0 112.475 173.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -164.3 155.0 13.2 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.165 1.786 . . . . 0.0 111.739 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.71 59.14 7.14 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 124.298 3.332 . . . . 0.0 111.073 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -143.01 157.26 44.71 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.772 1.629 . . . . 0.0 112.512 -171.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -66.9 134.46 94.02 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 127.661 2.384 . . . . 0.0 111.457 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -67.13 -21.81 48.16 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.25 3.3 . . . . 0.0 114.85 -173.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -118.23 -36.0 3.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.34 0.973 . . . . 0.0 113.374 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -97.28 -28.07 14.22 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.069 0.948 . . . . 0.0 112.743 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 65.96 17.32 10.77 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.251 2.22 . . . . 0.0 114.045 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -59.13 158.95 8.01 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.763 0.825 . . . . 0.0 110.279 155.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.45 141.91 58.35 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.047 0.539 . . . . 0.0 111.486 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -152.4 133.28 14.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.44 1.496 . . . . 0.0 110.085 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -129.69 154.09 47.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.724 1.609 . . . . 0.0 109.651 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.03 -36.09 49.09 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.766 1.227 . . . . 0.0 113.102 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -64.35 -15.8 61.05 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 mtt -90.2 -14.3 33.73 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.319 1.448 . . . . 0.0 112.947 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.28 153.23 20.62 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.519 1.528 . . . . 0.0 112.595 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.15 119.68 2.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.593 1.157 . . . . 0.0 109.473 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.5 125.43 18.76 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.258 2.638 . . . . 0.0 110.576 170.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.6 114.94 65.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 123.346 0.658 . . . . 0.0 111.076 -168.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.0 -32.35 1.9 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.219 2.613 . . . . 0.0 113.203 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.91 -20.89 66.69 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.293 0.951 . . . . 0.0 113.344 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.83 -45.73 10.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.697 0.799 . . . . 0.0 111.527 166.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.8 -37.87 80.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.534 1.061 . . . . 0.0 113.267 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.13 -33.39 74.4 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.85 0.86 . . . . 0.0 112.724 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.65 -41.95 62.04 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.903 0.881 . . . . 0.0 111.802 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.74 -51.99 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.174 1.39 . . . . 0.0 110.806 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.19 -32.88 74.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.771 0.714 . . . . 0.0 112.271 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.28 85.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.01 0.823 . . . . 0.0 111.415 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -66.78 -46.04 76.53 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.815 0.846 . . . . 0.0 111.823 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.1 mtp -59.43 -35.59 74.29 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.0 112.333 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.53 -39.89 81.41 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.202 1.001 . . . . 0.0 112.149 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.93 -36.47 83.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.674 0.789 . . . . 0.0 111.741 176.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.75 -42.33 67.36 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.518 -0.739 . . . . 0.0 111.515 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -67.33 -28.57 68.08 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.756 1.222 . . . . 0.0 112.785 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 m -63.92 -16.72 62.12 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.903 -1.123 . . . . 0.0 113.646 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -82.51 -13.32 56.86 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.848 -1.157 . . . . 0.0 113.934 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.51 -28.98 26.33 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.929 -1.107 . . . . 0.0 112.981 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 125.621 1.568 . . . . 0.0 112.694 -177.374 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.553 0 CA-C-O 121.098 0.374 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.65 21.49 74.63 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.987 -161.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -115.34 -39.83 3.53 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.393 1.877 . . . . 0.0 111.672 -169.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.87 5.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 112.615 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.25 161.14 43.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.517 1.927 . . . . 0.0 111.824 -168.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.98 140.75 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.64 1.176 . . . . 0.0 109.858 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -87.03 99.28 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.066 0.946 . . . . 0.0 109.942 166.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -77.31 11.04 2.1 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -57.65 -18.53 20.94 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.254 1.422 . . . . 0.0 113.47 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.5 -6.85 43.6 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.689 1.996 . . . . 0.0 113.886 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 147.09 86.71 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 124.592 1.157 . . . . 0.0 112.886 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -72.67 159.02 49.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.607 2.871 . . . . 0.0 110.637 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -15.55 9.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.762 1.225 . . . . 0.0 114.107 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.32 -37.18 72.11 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.299 1.44 . . . . 0.0 112.011 170.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -106.71 0.75 24.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.652 1.581 . . . . 0.0 113.127 -170.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -113.52 134.7 54.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.861 1.264 . . . . 0.0 111.763 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.86 142.87 27.98 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.005 1.322 . . . . 0.0 110.66 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.63 -36.89 73.06 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.58 2.853 . . . . 0.0 114.713 -173.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 tp -95.04 -33.8 12.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.623 1.169 . . . . 0.0 111.998 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -34.35 78.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.955 0.502 . . . . 0.0 111.827 170.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 66.72 21.65 10.53 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.308 1.843 . . . . 0.0 113.342 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -163.75 -178.35 5.69 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.006 2.122 . . . . 0.0 110.33 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.5 114.51 2.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.204 1.402 . . . . 0.0 110.592 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -71.04 -34.97 71.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m 74.07 -36.16 0.33 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 128.045 2.538 . . . . 0.0 112.324 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -121.16 81.83 37.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 127.157 2.183 . . . . 0.0 109.433 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.36 135.39 26.62 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.524 2.816 . . . . 0.0 110.807 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.26 130.42 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.593 1.157 . . . . 0.0 109.945 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -89.74 135.88 33.36 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.593 1.157 . . . . 0.0 111.733 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.36 165.09 35.3 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.947 2.099 . . . . 0.0 110.506 173.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.79 -22.95 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.95 2.433 . . . . 0.0 113.068 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -75.16 -3.82 35.19 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.684 1.194 . . . . 0.0 113.792 172.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.77 -9.74 76.18 Favored Glycine 0 N--CA 1.474 1.196 0 C-N-CA 126.048 1.785 . . . . 0.0 114.562 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -71.31 148.28 47.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.717 2.007 . . . . 0.0 110.567 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.6 t -110.98 130.89 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.637 1.175 . . . . 0.0 110.777 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -132.78 166.58 21.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.442 1.897 . . . . 0.0 112.278 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.57 135.17 48.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 113.1 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -57.12 -46.47 82.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.515 1.126 . . . . 0.0 113.667 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -66.26 -35.64 80.93 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.114 -0.991 . . . . 0.0 112.385 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -73.38 -43.66 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.529 1.132 . . . . 0.0 111.293 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.67 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.55 0.613 . . . . 0.0 111.102 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.26 -34.12 70.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.258 -0.901 . . . . 0.0 112.284 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -64.58 -38.54 91.35 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.253 0.933 . . . . 0.0 111.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -63.55 -52.62 60.32 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.784 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.17 -36.05 67.89 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tt -62.78 -38.55 91.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.286 1.434 . . . . 0.0 111.994 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.73 -44.44 27.8 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.24 1.016 . . . . 0.0 112.461 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.6 p -169.77 154.08 5.2 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.441 1.496 . . . . 0.0 112.572 -169.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.77 68.0 8.3 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.375 2.717 . . . . 0.0 111.017 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -139.29 146.73 40.71 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.286 1.434 . . . . 0.0 113.515 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.31 139.33 97.41 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.63 1.972 . . . . 0.0 111.182 169.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -68.67 -24.05 35.59 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.302 2.668 . . . . 0.0 115.378 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -123.81 -37.19 2.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.842 1.201 . . . . 0.0 113.384 -175.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -86.12 -25.73 25.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.532 0.733 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 71.38 6.01 5.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.834 2.454 . . . . 0.0 114.385 175.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -57.97 157.09 8.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.343 1.457 . . . . 0.0 111.359 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.17 136.42 55.9 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.009 0.524 . . . . 0.0 111.032 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -152.24 136.36 16.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.58 1.152 . . . . 0.0 111.076 -167.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 m -123.83 151.95 42.83 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.046 1.738 . . . . 0.0 109.165 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.1 -22.78 61.37 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 p -68.51 -17.54 64.19 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.62 1.568 . . . . 0.0 113.473 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.6 mmt -89.03 -8.44 54.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.987 1.315 . . . . 0.0 112.928 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.0 155.69 21.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.063 1.345 . . . . 0.0 112.481 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -155.22 117.23 2.39 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.9 1.28 . . . . 0.0 110.294 171.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.16 136.5 76.83 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.6 2.867 . . . . 0.0 111.989 173.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.38 114.84 61.99 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.057 0.943 . . . . 0.0 111.017 -174.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.47 -39.65 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.77 2.313 . . . . 0.0 112.081 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.45 -21.05 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.82 -43.1 11.48 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.429 168.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -65.45 -36.95 85.45 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.28 1.4 . . . . 0.0 113.228 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.27 -30.64 68.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.933 0.893 . . . . 0.0 112.41 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -73.05 -40.59 64.96 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.887 0.767 . . . . 0.0 112.241 170.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.46 -52.2 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 111.427 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.77 71.46 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.175 0.443 . . . . 0.0 112.148 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.24 66.56 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.1 0.863 . . . . 0.0 111.731 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -63.86 -43.17 96.92 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.354 -0.842 . . . . 0.0 112.355 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.8 mtp -60.86 -34.68 74.96 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.601 0.76 . . . . 0.0 112.53 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -67.54 -44.67 77.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.177 0.591 . . . . 0.0 111.817 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.21 -36.55 80.21 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.954 0.797 . . . . 0.0 112.765 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.74 -18.17 65.14 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -100.26 -34.43 10.01 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.062 1.345 . . . . 0.0 111.26 175.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -75.11 -10.41 59.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.786 1.234 . . . . 0.0 113.942 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 p -75.08 -10.9 59.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.124 1.37 . . . . 0.0 114.452 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.03 129.95 43.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.717 1.207 . . . . 0.0 111.94 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 124.451 1.101 . . . . 0.0 112.947 -168.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 CA--C 1.542 0.916 0 N-CA-C 113.843 0.67 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.93 6.89 59.0 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.821 1.201 . . . . 0.0 114.238 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -80.31 -18.18 49.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.01 1.324 . . . . 0.0 113.937 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.65 157.29 23.31 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.843 1.657 . . . . 0.0 111.799 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -142.57 158.74 43.35 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.143 1.777 . . . . 0.0 110.9 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.01 145.23 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.843 0.857 . . . . 0.0 109.398 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -73.1 107.96 5.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.723 0.809 . . . . 0.0 111.184 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -99.46 24.55 7.99 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.841 1.256 . . . . 0.0 113.219 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -60.43 -17.71 46.16 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.521 -1.362 . . . . 0.0 114.004 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -94.81 2.29 55.47 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.297 2.639 . . . . 0.0 114.291 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 148.05 61.28 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.293 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.79 155.8 61.85 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.236 2.624 . . . . 0.0 111.8 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.5 -26.73 68.7 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.617 1.167 . . . . 0.0 113.553 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.78 -16.5 63.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -98.08 -1.49 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.395 1.478 . . . . 0.0 113.014 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -120.25 134.98 55.14 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 0.0 112.227 -167.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.35 134.02 49.28 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-O 118.61 -0.71 . . . . 0.0 111.045 173.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.91 -20.93 50.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.463 2.775 . . . . 0.0 115.148 -174.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.07 -47.9 19.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 120.218 1.372 . . . . 0.0 112.08 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.7 mtp -92.08 -20.12 21.61 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 56.6 52.77 9.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.946 1.698 . . . . 0.0 112.551 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -156.72 161.52 39.82 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.901 1.68 . . . . 0.0 110.828 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 120.62 12.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.087 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -71.05 -36.19 72.23 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 p 65.19 -31.7 0.14 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 129.359 3.064 . . . . 0.0 114.958 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.26 86.19 37.77 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.678 1.991 . . . . 0.0 110.047 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -71.25 134.87 25.76 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.197 2.598 . . . . 0.0 110.882 171.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.5 t -129.92 132.11 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.56 1.544 . . . . 0.0 109.461 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -89.94 140.17 29.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.956 2.102 . . . . 0.0 111.46 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 mt -98.09 160.25 28.78 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 126.933 2.093 . . . . 0.0 110.979 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.37 -21.88 66.38 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.269 2.646 . . . . 0.0 113.504 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.0 p -71.6 -11.25 60.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.6 -2.59 80.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.751 1.644 . . . . 0.0 113.997 -172.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.9 m -69.81 145.8 51.86 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.816 1.246 . . . . 0.0 110.051 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.4 t -113.02 143.21 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.981 1.313 . . . . 0.0 110.081 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.4 ttm -146.89 162.7 38.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.827 2.051 . . . . 0.0 111.14 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.5 135.76 47.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.368 1.067 . . . . 0.0 112.148 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -52.69 -51.24 61.16 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.547 1.539 . . . . 0.0 113.717 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 m -68.81 -37.63 79.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.608 -0.682 . . . . 0.0 112.517 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.95 -48.2 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.005 0.922 . . . . 0.0 111.084 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -64.24 -45.62 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 119.233 0.924 . . . . 0.0 111.628 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.21 -34.42 77.45 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.758 1.163 . . . . 0.0 112.553 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -66.96 -38.32 85.89 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.848 0.749 . . . . 0.0 111.859 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -67.0 -46.6 74.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.865 0.757 . . . . 0.0 111.142 174.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.62 -37.22 72.91 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.68 1.192 . . . . 0.0 113.347 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.43 -33.99 75.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.987 1.315 . . . . 0.0 112.601 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -79.67 -44.12 21.47 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.771 0.828 . . . . 0.0 111.321 173.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 p -169.91 145.15 2.4 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.773 1.629 . . . . 0.0 111.682 172.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.25 75.89 4.08 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.647 2.898 . . . . 0.0 112.316 -170.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -145.11 158.51 43.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.362 1.865 . . . . 0.0 111.537 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.18 134.28 91.47 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.618 1.167 . . . . 0.0 112.376 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -65.91 -22.24 56.17 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.506 2.804 . . . . 0.0 115.215 -174.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.1 -32.08 7.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.448 1.022 . . . . 0.0 113.151 -177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -102.99 -27.81 12.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.085 1.354 . . . . 0.0 112.871 -173.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 67.82 12.65 8.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.947 2.099 . . . . 0.0 114.501 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -72.27 157.72 37.17 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.802 0.841 . . . . 0.0 110.561 164.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -63.17 134.85 56.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.006 0.922 . . . . 0.0 111.706 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.76 120.31 5.09 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.382 1.473 . . . . 0.0 109.6 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -113.67 161.32 17.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.726 1.21 . . . . 0.0 112.154 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.87 -23.68 61.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.266 1.427 . . . . 0.0 113.872 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.0 p -70.86 -16.65 62.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.787 1.235 . . . . 0.0 113.814 174.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.6 mtt -89.11 -7.54 55.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.095 1.358 . . . . 0.0 113.377 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.6 154.67 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.377 1.471 . . . . 0.0 112.357 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -160.9 129.1 2.88 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.688 1.595 . . . . 0.0 109.681 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.52 144.96 41.37 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.677 2.252 . . . . 0.0 111.507 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.3 113.06 62.66 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 0.0 111.427 -176.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.7 -34.64 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.237 2.625 . . . . 0.0 112.892 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.43 -23.22 66.26 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.417 1.008 . . . . 0.0 113.403 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.7 mt -90.45 -41.93 11.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.336 1.054 . . . . 0.0 111.655 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.44 -35.33 80.55 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.43 1.014 . . . . 0.0 112.815 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.86 -34.71 79.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.149 1.38 . . . . 0.0 112.473 173.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.63 -40.78 63.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.135 0.574 . . . . 0.0 111.974 172.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.08 -48.8 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.256 1.022 . . . . 0.0 111.012 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -66.43 -32.2 73.42 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.31 0.959 . . . . 0.0 112.595 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.24 90.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.632 -0.668 . . . . 0.0 112.051 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -67.38 -44.05 79.89 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.376 0.67 . . . . 0.0 112.135 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 94.6 mtp -57.85 -35.63 71.19 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.302 1.041 . . . . 0.0 112.425 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -59.77 -45.26 92.83 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.243 -0.91 . . . . 0.0 112.207 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.42 -37.11 82.55 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.315 0.646 . . . . 0.0 112.237 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -68.42 -33.68 74.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.197 0.999 . . . . 0.0 113.106 175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.77 -53.48 13.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.387 1.475 . . . . 0.0 110.982 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -167.52 -25.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -165.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m 68.7 1.97 3.26 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.783 2.033 . . . . 0.0 113.477 -170.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.79 128.73 37.0 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.545 -1.347 . . . . 0.0 112.139 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m80 . . . . . 0 C--O 1.257 1.463 0 C-N-CA 125.16 1.384 . . . . 0.0 112.178 -175.801 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo . . . . . 0 CA--C 1.538 0.691 0 N-CA-C 114.413 0.889 . . . . 0.0 114.413 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.07 16.22 39.09 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.259 1.409 . . . . 0.0 113.37 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -109.47 -44.13 3.95 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.069 1.347 . . . . 0.0 112.128 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.51 0.45 0.68 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.927 1.291 . . . . 0.0 113.635 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mp0 -79.69 154.22 28.76 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.864 2.066 . . . . 0.0 111.75 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mm -87.48 157.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.69 1.196 . . . . 0.0 110.111 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -75.09 88.27 2.42 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.336 -0.853 . . . . 0.0 109.797 168.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -74.92 16.08 0.33 Allowed 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -63.24 -6.9 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.283 -1.511 . . . . 0.0 113.514 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.12 -8.04 58.66 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.419 1.888 . . . . 0.0 113.475 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 152.73 78.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.923 1.289 . . . . 0.0 113.494 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.03 156.44 56.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.679 2.919 . . . . 0.0 111.272 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.19 -25.4 67.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.437 1.095 . . . . 0.0 113.855 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.97 -19.81 61.83 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -94.56 -0.2 54.74 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 0.0 112.881 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -119.31 143.98 47.08 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.362 1.065 . . . . 0.0 112.047 -169.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.35 139.54 25.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 124.002 0.921 . . . . 0.0 110.773 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -37.04 54.62 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.146 2.564 . . . . 0.0 114.471 -174.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -81.93 -40.03 22.88 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.363 0.665 . . . . 0.0 111.072 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -68.03 -29.88 68.98 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t70 71.78 5.59 5.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.707 2.803 . . . . 0.0 113.266 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -151.86 179.65 8.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.605 1.562 . . . . 0.0 111.585 -169.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 118.63 7.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 111.359 -170.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -74.41 -34.59 63.31 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 p 66.69 -23.0 0.1 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 128.546 2.738 . . . . 0.0 115.463 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.39 81.05 71.34 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 126.359 1.864 . . . . 0.0 110.121 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.85 135.65 17.81 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.52 2.814 . . . . 0.0 111.996 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.7 t -123.36 129.37 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 126.168 1.787 . . . . 0.0 109.342 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -89.99 135.34 33.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.57 2.348 . . . . 0.0 110.963 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.16 163.95 20.51 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 127.447 2.299 . . . . 0.0 110.216 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.18 -24.14 59.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.056 2.504 . . . . 0.0 112.873 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -75.06 -6.78 51.28 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.903 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.91 77.98 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.847 1.689 . . . . 0.0 114.185 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -64.06 150.19 45.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.625 1.97 . . . . 0.0 110.338 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.94 132.45 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.966 0.907 . . . . 0.0 109.753 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -137.82 171.78 13.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.563 1.945 . . . . 0.0 111.544 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -70.81 136.19 48.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.255 1.022 . . . . 0.0 113.032 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -49.04 -52.24 26.47 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.602 1.961 . . . . 0.0 113.798 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m -70.35 -38.46 74.81 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.434 -0.791 . . . . 0.0 111.788 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.55 -43.57 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.75 0.704 . . . . 0.0 111.292 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -64.03 -46.95 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 111.853 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.25 -36.11 80.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.382 0.992 . . . . 0.0 112.258 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -34.76 78.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.281 0.946 . . . . 0.0 111.704 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -70.12 -44.09 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.9 0.773 . . . . 0.0 111.664 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.95 -36.38 72.48 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.09 0.956 . . . . 0.0 113.165 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.09 -23.47 66.52 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.587 1.155 . . . . 0.0 113.951 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.14 -52.53 5.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.169 0.988 . . . . 0.0 111.005 171.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -151.06 141.34 14.5 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.859 1.664 . . . . 0.0 110.182 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.48 64.15 7.98 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.769 2.979 . . . . 0.0 111.127 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -144.33 156.27 44.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.718 1.607 . . . . 0.0 112.295 -174.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.68 131.5 92.8 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 110.437 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.16 -19.85 56.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.501 2.801 . . . . 0.0 114.409 -172.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -120.67 -33.51 3.79 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.045 0.938 . . . . 0.0 113.258 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -96.1 -27.01 15.28 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.061 0.944 . . . . 0.0 112.956 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 66.74 16.03 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.532 2.333 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -61.75 154.82 24.51 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.582 1.153 . . . . 0.0 111.324 160.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpt -56.9 133.27 54.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.414 1.086 . . . . 0.0 110.716 171.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.11 114.26 4.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.895 0.878 . . . . 0.0 111.118 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.0 m -105.77 152.2 23.51 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.683 1.593 . . . . 0.0 109.705 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.31 -23.04 62.13 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 p -70.28 -17.28 63.1 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.323 1.449 . . . . 0.0 114.084 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.5 mtt -84.75 -13.79 50.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.872 1.269 . . . . 0.0 113.024 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.91 152.21 25.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.596 1.558 . . . . 0.0 111.985 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -151.24 118.3 3.31 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.789 1.236 . . . . 0.0 109.682 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.97 131.65 22.83 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.056 1.837 . . . . 0.0 109.182 174.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.51 105.25 53.97 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 123.261 0.624 . . . . 0.0 111.385 -171.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.82 -31.21 3.29 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.732 2.955 . . . . 0.0 113.563 -171.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.95 -26.29 68.76 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.345 0.975 . . . . 0.0 113.057 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.03 -44.28 16.83 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.804 -0.56 . . . . 0.0 111.483 169.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.08 -39.6 86.63 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.625 1.102 . . . . 0.0 113.004 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.04 -34.49 76.56 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.965 1.306 . . . . 0.0 112.309 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.99 -38.5 64.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.961 0.505 . . . . 0.0 112.321 172.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.97 -53.03 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.043 1.337 . . . . 0.0 111.095 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -65.69 -32.03 73.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.796 0.726 . . . . 0.0 112.357 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.3 78.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.674 0.789 . . . . 0.0 111.639 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -65.86 -42.33 90.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.68 0.792 . . . . 0.0 111.758 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mtp -60.76 -42.68 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.919 0.888 . . . . 0.0 111.578 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.08 -45.99 92.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.724 0.81 . . . . 0.0 112.001 173.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.64 -42.81 97.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.367 0.667 . . . . 0.0 112.388 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.41 -40.83 98.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.806 0.842 . . . . 0.0 112.811 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -72.81 -31.79 65.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.945 0.898 . . . . 0.0 112.253 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -72.9 -8.84 57.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.3 m -68.22 -11.06 58.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.05 -12.65 60.0 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.053 1.341 . . . . 0.0 112.637 -175.628 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 CA--C 1.54 0.782 0 N-CA-C 113.603 0.578 . . . . 0.0 113.603 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.84 60.44 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.373 0.987 . . . . 0.0 113.686 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 p -83.74 -9.3 58.92 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.718 1.607 . . . . 0.0 114.696 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.35 47.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 113.157 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.7 164.65 21.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.146 1.378 . . . . 0.0 112.709 177.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mm -82.66 145.14 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.524 1.13 . . . . 0.0 110.131 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.34 126.34 32.04 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.924 0.889 . . . . 0.0 111.316 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -108.14 17.23 22.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -65.91 -11.21 45.38 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.495 -1.378 . . . . 0.0 112.734 170.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -76.13 -6.2 50.12 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.018 2.127 . . . . 0.0 113.978 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.14 140.58 87.38 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -174.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 153.87 72.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.858 3.039 . . . . 0.0 111.625 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.71 -25.19 66.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.844 1.258 . . . . 0.0 114.342 -168.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.73 -19.48 65.14 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.481 1.113 . . . . 0.0 113.984 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -101.11 -9.59 21.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.75 1.62 . . . . 0.0 113.67 173.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -85.22 146.12 27.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.661 0.785 . . . . 0.0 111.867 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -78.19 145.84 69.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 122.909 0.484 . . . . 0.0 111.704 162.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -28.02 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.229 2.62 . . . . 0.0 113.305 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.59 -50.49 9.91 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 111.204 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.6 mmm -94.69 -14.54 24.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.94 1.296 . . . . 0.0 114.451 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.5 t0 57.02 49.99 12.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.194 2.198 . . . . 0.0 113.604 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -149.41 172.56 14.74 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.987 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 121.18 11.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.09 0.956 . . . . 0.0 109.627 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -70.81 -43.05 69.44 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 m 73.31 -37.34 0.38 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.794 2.438 . . . . 0.0 113.054 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.9 79.69 8.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 127.011 2.124 . . . . 0.0 110.719 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.52 135.4 24.15 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.348 2.699 . . . . 0.0 110.826 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.6 t -134.39 128.23 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.955 1.702 . . . . 0.0 109.818 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -89.8 137.14 32.59 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.894 1.678 . . . . 0.0 111.565 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -89.48 161.75 38.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 110.66 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.8 -22.02 69.33 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.465 2.777 . . . . 0.0 113.423 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.4 p -70.42 -10.87 60.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.635 1.574 . . . . 0.0 114.519 171.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.66 -7.44 81.89 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 126.014 1.769 . . . . 0.0 114.262 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.4 m -66.81 149.33 50.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.764 1.626 . . . . 0.0 110.033 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -113.09 139.25 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.355 1.062 . . . . 0.0 110.232 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 30.8 tpp -135.03 167.68 20.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.298 1.839 . . . . 0.0 110.662 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.53 136.15 44.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.618 1.167 . . . . 0.0 111.871 169.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -48.27 -53.23 17.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.843 1.657 . . . . 0.0 113.032 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -69.63 -39.31 77.24 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.911 -0.493 . . . . 0.0 111.585 -172.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.11 -47.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.173 0.989 . . . . 0.0 111.653 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.87 -44.82 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.45 1.023 . . . . 0.0 112.053 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.91 -32.85 73.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.778 1.172 . . . . 0.0 112.361 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.11 -46.13 75.11 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.408 0.683 . . . . 0.0 110.691 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.64 -38.01 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.144 0.884 . . . . 0.0 112.24 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.7 -34.86 71.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.257 1.023 . . . . 0.0 112.652 172.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -27.58 68.57 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.363 1.065 . . . . 0.0 113.039 172.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -85.44 -47.84 9.57 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.225 1.01 . . . . 0.0 112.579 175.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 m -151.61 147.65 20.58 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.569 1.548 . . . . 0.0 110.919 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.02 54.36 5.13 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.364 3.376 . . . . 0.0 111.551 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 p -146.67 161.9 39.59 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.72 1.608 . . . . 0.0 112.433 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -74.26 137.76 75.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 124.595 1.158 . . . . 0.0 111.262 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.91 -29.56 67.27 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.645 2.896 . . . . 0.0 115.273 -175.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -112.04 -25.7 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.709 1.141 . . . . 0.0 113.928 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -101.47 -28.62 12.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.464 1.106 . . . . 0.0 112.315 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.48 20.1 10.9 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.841 2.056 . . . . 0.0 114.033 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -70.03 162.03 28.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.494 -0.754 . . . . 0.0 110.294 164.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.38 136.92 48.98 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.997 0.919 . . . . 0.0 110.923 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.52 142.33 18.95 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.687 1.195 . . . . 0.0 110.188 -173.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.6 m -144.28 153.77 42.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.539 1.936 . . . . 0.0 109.054 -178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -56.17 -32.06 63.98 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.277 1.031 . . . . 0.0 112.621 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -16.97 64.14 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.365 1.466 . . . . 0.0 113.896 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.5 mtt -87.55 -10.38 51.78 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.578 1.151 . . . . 0.0 113.293 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.23 153.43 24.72 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.219 1.408 . . . . 0.0 112.665 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -156.09 124.64 2.95 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.065 1.346 . . . . 0.0 110.095 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.83 140.27 35.0 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.247 2.631 . . . . 0.0 111.497 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.6 t -90.67 119.79 68.96 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.032 0.933 . . . . 0.0 111.268 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -83.02 -37.74 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.053 2.502 . . . . 0.0 112.836 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.17 -32.43 73.86 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.911 1.232 . . . . 0.0 112.554 -175.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.69 -44.98 26.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.742 0.817 . . . . 0.0 111.433 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -59.96 -42.4 94.01 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.644 1.111 . . . . 0.0 112.855 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.37 -35.51 81.11 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.962 1.305 . . . . 0.0 112.069 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.65 -40.44 66.37 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.794 -0.566 . . . . 0.0 112.389 173.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.14 -49.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.669 1.188 . . . . 0.0 111.602 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.38 -32.61 74.34 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.686 0.675 . . . . 0.0 112.216 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.64 82.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.361 0.664 . . . . 0.0 111.564 172.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.5 -43.18 90.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.564 -0.71 . . . . 0.0 112.442 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.85 -39.65 85.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.14 0.882 . . . . 0.0 111.389 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -67.76 -39.89 84.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.699 0.8 . . . . 0.0 112.205 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.9 -28.92 70.16 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.283 0.947 . . . . 0.0 112.686 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.14 -21.27 59.94 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.543 -1.348 . . . . 0.0 113.42 171.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -88.21 -47.53 8.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.617 1.167 . . . . 0.0 111.864 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.7 p -166.7 -139.86 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.352 1.461 . . . . 0.0 111.604 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m 73.03 -37.86 0.4 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.077 2.551 . . . . 0.0 114.122 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -88.22 125.82 34.83 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 167.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.363 1.465 . . . . 0.0 112.217 -173.813 . . . . . . . . 0 0 . 1 stop_ save_