data_1l8c_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 1l8c _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.556 0.217 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.78 137.47 15.16 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.769 1.628 . . . . 0.0 111.024 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.7 -38.46 71.35 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.888 2.392 . . . . 0.0 113.513 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.49 -34.12 73.86 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.725 -1.234 . . . . 0.0 111.423 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.12 -41.53 98.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.885 -1.134 . . . . 0.0 109.499 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.51 -45.99 87.65 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.832 173.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -51.74 -50.38 60.7 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 119.822 1.192 . . . . 0.0 111.109 172.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.68 -47.28 85.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.611 1.165 . . . . 0.0 111.69 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.44 -46.78 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.39 1.476 . . . . 0.0 110.738 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.24 -54.81 22.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.919 1.288 . . . . 0.0 110.931 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.298 4.6 pp0? -63.06 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.262 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -53.1 -47.19 68.77 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.824 1.647 . . . . 0.0 111.399 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.78 -57.86 10.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.118 1.767 . . . . 0.0 109.482 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.53 -48.96 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.306 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.02 -46.96 86.88 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.598 1.09 . . . . 0.0 112.041 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.22 -45.1 92.01 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 110.94 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.95 -47.07 87.32 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.827 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -51.97 -52.01 53.36 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.115 0.87 . . . . 0.0 110.785 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.0 5.75 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.308 1.043 . . . . 0.0 113.134 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -73.22 -41.91 63.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.477 0.711 . . . . 0.0 112.656 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.81 -52.44 56.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.44 1.496 . . . . 0.0 111.028 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.9 t . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 129.168 2.987 . . . . 0.0 110.017 175.588 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.5 t -47.01 -52.83 13.87 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 112.487 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -52.96 -41.43 64.52 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.675 1.19 . . . . 0.0 113.117 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -59.5 -51.95 67.66 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.55 0.74 . . . . 0.0 109.398 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.72 -36.11 79.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.946 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -60.64 -43.08 97.98 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 120.9 1.682 . . . . 0.0 111.108 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.92 -47.18 87.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.545 0.738 . . . . 0.0 110.086 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.8 -48.24 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 0.0 110.474 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.17 -52.45 51.85 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.44 2.296 . . . . 0.0 111.622 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -55.86 -48.31 75.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.579 1.152 . . . . 0.0 111.454 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.3 -51.82 68.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.811 0.845 . . . . 0.0 111.423 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.9 mtp -46.1 -48.54 17.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.829 1.652 . . . . 0.0 114.256 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.8 -40.83 98.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.982 0.913 . . . . 0.0 113.12 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.52 -50.95 14.12 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.885 1.274 . . . . 0.0 112.449 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.65 142.25 58.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.064 1.746 . . . . 0.0 111.245 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -130.17 0.8 4.67 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.528 1.931 . . . . 0.0 112.687 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -38.22 78.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.289 1.436 . . . . 0.0 113.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.4 -98.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.987 1.755 . . . . 0.0 113.883 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -54.57 -42.81 71.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.463 1.505 . . . . 0.0 111.424 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.6 56.44 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.961 1.704 . . . . 0.0 115.134 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.53 120.18 13.54 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.702 1.137 . . . . 0.0 110.268 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -68.72 -24.9 64.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.768 1.227 . . . . 0.0 113.341 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.8 t -64.31 119.71 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.261 1.424 . . . . 0.0 110.977 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.55 -53.44 14.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.227 1.811 . . . . 0.0 112.092 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -55.1 -54.06 47.94 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 0.0 113.249 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.8 t -55.28 -55.42 31.62 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.155 1.382 . . . . 0.0 111.039 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -45.78 66.14 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.634 1.173 . . . . 0.0 112.681 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.0 m -70.39 -55.91 7.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.574 1.549 . . . . 0.0 113.477 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -52.43 -44.02 65.19 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.046 2.138 . . . . 0.0 114.192 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.37 -46.65 85.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.067 -1.021 . . . . 0.0 110.184 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -55.64 32.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.148 1.779 . . . . 0.0 112.477 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.87 -46.96 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.346 0.975 . . . . 0.0 112.895 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.39 -40.39 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 118.508 0.594 . . . . 0.0 111.037 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.0 m -55.03 -48.11 73.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.648 0.779 . . . . 0.0 110.7 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -58.11 -63.06 1.39 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.782 0.833 . . . . 0.0 109.644 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -50.86 -44.29 59.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -59.51 -51.74 68.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.263 1.425 . . . . 0.0 112.14 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -73.11 -41.66 63.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.28 121.63 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.923 1.689 . . . . 0.0 112.81 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -134.53 23.2 3.7 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.411 2.285 . . . . 0.0 110.36 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -63.65 149.38 46.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 128.669 2.788 . . . . 0.0 111.995 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -48.97 -55.92 10.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.618 1.567 . . . . 0.0 111.133 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -147.71 123.56 10.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.633 1.573 . . . . 0.0 111.036 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.86 142.6 42.73 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 128.009 2.523 . . . . 0.0 105.776 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -61.69 -4.68 4.81 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.987 3.124 . . . . 0.0 116.874 -175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.62 -52.51 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.616 1.098 . . . . 0.0 110.502 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.81 -52.13 51.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.872 2.069 . . . . 0.0 112.772 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.6 -61.88 4.95 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.879 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -58.14 -35.85 98.38 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.266 1.977 . . . . 0.0 113.222 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.54 -49.1 72.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.139 -0.976 . . . . 0.0 111.997 175.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 125.594 1.557 . . . . 0.0 111.421 177.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.854 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 93.3 mt -122.42 124.5 26.78 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.795 1.638 . . . . 0.0 108.696 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -81.63 179.21 5.91 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.684 2.922 . . . . 0.0 112.827 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -115.94 62.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.3 1.44 . . . . 0.0 109.191 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.44 166.83 19.56 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.978 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -139.74 168.36 20.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.602 1.161 . . . . 0.0 110.706 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p -52.53 -52.77 53.09 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.304 1.042 . . . . 0.0 109.355 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -51.71 -57.87 7.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.458 1.503 . . . . 0.0 112.233 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.13 -52.27 59.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.946 0.899 . . . . 0.0 111.896 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.07 -48.24 82.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.463 1.105 . . . . 0.0 112.113 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.05 -46.85 75.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.501 1.52 . . . . 0.0 111.578 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 t -63.68 -50.75 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 126.434 1.894 . . . . 0.0 112.109 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.36 -43.08 61.39 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.6 75.71 68.23 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.658 1.183 . . . . 0.0 111.559 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.29 135.71 70.23 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.941 3.094 . . . . 0.0 113.936 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.1 mt -63.61 128.87 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.576 1.55 . . . . 0.0 108.903 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 123.952 0.901 . . . . 0.0 111.992 -179.457 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.668 0.747 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 123.51 16.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.004 2.121 . . . . 0.0 107.035 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.89 164.34 32.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 61.64 -139.98 47.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.9 1.715 . . . . 0.0 114.553 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.84 -42.43 47.33 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.791 1.237 . . . . 0.0 113.175 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -54.27 -32.33 55.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.06 1.344 . . . . 0.0 112.923 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -56.96 -60.09 4.09 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.313 0.961 . . . . 0.0 109.237 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -57.25 -42.39 81.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.173 0.989 . . . . 0.0 111.219 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -57.95 -46.99 84.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.949 1.3 . . . . 0.0 110.938 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.71 84.96 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.32 1.048 . . . . 0.0 110.821 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.49 -30.75 71.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.98 -1.075 . . . . 0.0 113.1 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.52 -38.62 90.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.575 1.15 . . . . 0.0 112.631 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.27 -15.52 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.101 1.76 . . . . 0.0 115.395 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.87 -37.17 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.812 1.645 . . . . 0.0 111.769 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.292 1.437 . . . . 0.0 114.722 -176.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -121.09 83.68 38.69 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.5 -106.52 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.618 2.878 . . . . 0.0 108.216 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -61.3 -18.09 56.8 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.25 -1.531 . . . . 0.0 112.214 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.43 -22.8 65.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.675 1.19 . . . . 0.0 112.11 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -53.17 -53.55 48.94 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.427 . . . . 0.0 109.707 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -54.75 -49.73 70.15 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.7 2.0 . . . . 0.0 111.083 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -56.68 -55.81 29.39 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.291 1.436 . . . . 0.0 111.378 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.59 -51.48 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.969 1.307 . . . . 0.0 110.201 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.99 -51.96 37.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.602 1.161 . . . . 0.0 111.357 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.87 -62.39 1.69 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.288 1.035 . . . . 0.0 110.852 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.71 -40.96 66.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.64 -55.07 39.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 109.082 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.44 -49.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 112.254 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.43 -45.96 80.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.579 1.081 . . . . 0.0 111.874 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.91 -44.11 96.96 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.877 0.871 . . . . 0.0 111.857 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.77 -48.59 81.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.478 0.711 . . . . 0.0 109.794 175.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -52.91 -53.86 43.22 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.543 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.9 -52.37 2.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.272 1.429 . . . . 0.0 114.034 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -80.22 -38.83 30.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.185 -0.947 . . . . 0.0 113.108 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -54.42 -40.24 68.1 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.537 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 130.234 3.414 . . . . 0.0 109.778 174.383 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.8 m170 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -51.69 -48.08 63.63 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.334 1.454 . . . . 0.0 111.056 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -46.13 -50.56 15.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 111.828 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -62.42 -51.74 66.32 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.657 1.183 . . . . 0.0 110.643 177.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.0 mmt -58.63 -37.59 76.24 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -62.42 -41.4 98.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.583 1.538 . . . . 0.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -61.91 -49.48 76.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.603 0.761 . . . . 0.0 109.976 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.44 -51.87 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.184 1.394 . . . . 0.0 110.382 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.87 -54.08 33.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.66 2.384 . . . . 0.0 111.811 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.94 -46.85 75.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 111.375 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -61.71 -48.59 80.04 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.455 0.702 . . . . 0.0 111.324 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -44.25 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.215 2.606 . . . . 0.0 114.867 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -65.64 -44.26 86.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.747 0.819 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -70.76 -52.84 18.12 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.618 1.167 . . . . 0.0 112.145 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.02 147.44 52.09 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.917 1.287 . . . . 0.0 111.172 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.9 5.11 4.97 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.925 1.69 . . . . 0.0 112.542 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.88 -73.51 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.021 0.929 . . . . 0.0 112.015 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.51 -72.58 1.21 Allowed Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.628 1.109 . . . . 0.0 112.353 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -43.2 -51.74 5.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.078 2.551 . . . . 0.0 114.058 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.47 14.75 12.85 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.736 1.615 . . . . 0.0 114.184 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.08 143.05 58.17 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.738 0.815 . . . . 0.0 110.408 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.27 -40.92 95.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.953 1.301 . . . . 0.0 111.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -71.11 114.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.34 1.456 . . . . 0.0 108.898 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.08 -49.05 69.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.552 0.741 . . . . 0.0 112.107 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -57.07 -29.37 63.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.742 1.617 . . . . 0.0 114.498 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.15 -49.73 75.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 109.785 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.73 63.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.15 0.98 . . . . 0.0 111.602 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -63.52 1.23 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.196 1.399 . . . . 0.0 112.733 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 p -49.8 -43.41 48.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.115 2.166 . . . . 0.0 114.574 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -59.7 -51.18 70.88 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.532 -0.73 . . . . 0.0 110.34 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -54.95 41.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.005 1.722 . . . . 0.0 113.399 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -52.83 -44.17 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.217 0.917 . . . . 0.0 112.704 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.61 -38.66 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.256 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.38 -46.96 66.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.83 0.741 . . . . 0.0 110.211 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -60.42 -66.24 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.176 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -50.72 -43.75 58.05 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.14 -52.28 63.79 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.408 1.483 . . . . 0.0 112.081 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -80.15 -33.72 38.26 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.14 119.27 5.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 113.063 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 p -132.11 23.59 4.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.063 2.545 . . . . 0.0 110.321 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -63.74 148.51 48.98 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 128.097 2.559 . . . . 0.0 111.339 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -51.55 -51.3 56.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.82 1.248 . . . . 0.0 111.164 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.82 131.28 15.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.631 1.572 . . . . 0.0 110.708 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.32 143.03 47.17 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.408 2.283 . . . . 0.0 105.109 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -62.84 -7.08 10.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.501 2.801 . . . . 0.0 116.616 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.05 -51.6 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.4 m -52.5 -48.99 65.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.236 1.814 . . . . 0.0 113.056 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.65 -62.06 5.69 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.625 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -58.37 -40.3 76.41 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.053 1.835 . . . . 0.0 112.71 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.58 -49.39 77.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.74 0.816 . . . . 0.0 111.555 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 124.584 1.154 . . . . 0.0 109.377 176.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.094 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.41 108.6 11.21 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.701 1.601 . . . . 0.0 107.373 172.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.66 169.43 20.87 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.111 2.54 . . . . 0.0 112.768 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -117.78 63.69 0.75 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.541 1.537 . . . . 0.0 108.516 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.63 110.78 4.41 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.485 1.114 . . . . 0.0 108.568 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 51.9 p -72.24 170.61 13.7 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.778 0.799 . . . . 0.0 111.567 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -55.42 -50.57 69.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.618 1.167 . . . . 0.0 109.18 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -53.99 -55.85 23.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.9 1.68 . . . . 0.0 111.222 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -48.8 -60.38 2.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.693 0.797 . . . . 0.0 111.361 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.8 m -56.0 -52.24 64.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.798 1.239 . . . . 0.0 113.022 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -57.78 -46.93 83.9 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.784 1.233 . . . . 0.0 112.461 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.74 -45.93 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 111.449 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.04 -51.85 54.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.672 1.589 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -130.85 75.66 78.34 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.701 1.2 . . . . 0.0 111.726 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.28 133.88 58.05 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.94 3.093 . . . . 0.0 113.092 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 28.1 mt -66.72 144.61 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.246 1.418 . . . . 0.0 109.627 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 123.959 0.904 . . . . 0.0 109.903 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.47 47.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.712 2.805 . . . . 0.0 107.432 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.84 160.33 43.33 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -174.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.55 -149.22 46.48 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 126.276 1.893 . . . . 0.0 114.369 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.06 -31.09 62.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.533 1.167 . . . . 0.0 113.568 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -53.11 -33.12 50.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.309 1.044 . . . . 0.0 111.795 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 52.3 mt -57.23 -63.18 1.31 Allowed 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 108.929 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.48 -42.82 74.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 111.874 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.68 -49.45 76.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.974 1.31 . . . . 0.0 110.547 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.83 88.82 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.843 1.257 . . . . 0.0 111.779 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.26 -44.55 96.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.732 1.213 . . . . 0.0 112.385 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.96 -41.76 75.2 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.721 1.608 . . . . 0.0 114.339 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -47.04 -21.82 0.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.55 -50.52 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -144.4 134.43 11.81 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 111.446 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -47.83 -50.69 11.2 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.845 3.03 . . . . 0.0 114.757 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.9 -40.21 96.87 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.378 -0.826 . . . . 0.0 112.101 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.02 -39.78 82.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.235 0.925 . . . . 0.0 110.442 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.238 0.926 . . . . 0.0 110.992 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -57.27 -46.09 83.42 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.405 1.082 . . . . 0.0 111.109 174.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.43 -48.99 78.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.709 1.204 . . . . 0.0 110.939 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.14 -52.51 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.84 1.256 . . . . 0.0 109.399 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -47.59 -54.22 12.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.312 1.845 . . . . 0.0 112.019 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -52.4 -57.5 9.64 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.689 1.196 . . . . 0.0 110.63 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -57.93 -39.41 77.96 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.299 1.039 . . . . 0.0 113.224 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.94 -58.05 9.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.976 1.71 . . . . 0.0 109.342 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.82 -48.86 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.215 1.406 . . . . 0.0 111.731 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.75 -51.4 69.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.665 0.666 . . . . 0.0 112.74 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.8 -46.72 84.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.008 1.323 . . . . 0.0 112.248 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.06 -54.86 42.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.795 1.238 . . . . 0.0 110.551 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -54.38 -51.52 64.54 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.474 1.11 . . . . 0.0 111.008 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.19 -54.86 4.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.733 1.613 . . . . 0.0 113.817 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -68.57 -43.15 77.19 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -54.94 -50.9 67.72 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.625 1.17 . . . . 0.0 111.142 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 129.662 3.185 . . . . 0.0 110.464 174.539 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 m170 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.32 -44.83 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.283 1.433 . . . . 0.0 110.881 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.77 -48.63 77.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.234 1.414 . . . . 0.0 111.24 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.8 m -58.13 -51.15 70.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.838 1.255 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.7 mmt -57.94 -42.0 83.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.865 1.266 . . . . 0.0 112.162 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -61.88 -41.92 98.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.145 1.378 . . . . 0.0 111.704 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -62.67 -46.86 86.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.504 -0.747 . . . . 0.0 110.268 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.57 -47.37 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.797 1.639 . . . . 0.0 110.432 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -52.19 -51.19 59.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.819 2.048 . . . . 0.0 111.815 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.97 -48.11 79.15 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.072 . . . . 0.0 111.234 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -58.42 -50.18 74.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.1 0.56 . . . . 0.0 111.369 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.4 mtp -48.77 -44.9 39.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.532 1.533 . . . . 0.0 115.056 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.9 p -69.3 -38.53 78.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.277 0.944 . . . . 0.0 112.263 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.85 -54.74 14.01 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.321 1.448 . . . . 0.0 111.444 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.94 147.29 53.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.368 1.867 . . . . 0.0 111.302 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -132.54 10.19 4.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.096 1.758 . . . . 0.0 112.042 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.3 -67.46 0.81 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.097 0.959 . . . . 0.0 112.131 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.78 -71.67 1.1 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.817 1.199 . . . . 0.0 113.372 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.99 -54.75 33.43 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.325 1.85 . . . . 0.0 110.921 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.07 53.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.47 1.508 . . . . 0.0 113.996 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.19 122.96 16.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.374 1.069 . . . . 0.0 110.932 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -66.59 -27.5 67.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.76 1.224 . . . . 0.0 113.184 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.52 118.22 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.403 1.481 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.95 53.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.76 1.624 . . . . 0.0 111.89 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -53.25 -58.52 6.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.88 1.672 . . . . 0.0 112.569 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.02 -55.87 13.0 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.253 1.821 . . . . 0.0 111.849 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.45 -43.44 64.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.931 0.892 . . . . 0.0 112.479 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.98 -57.3 4.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.767 1.627 . . . . 0.0 113.954 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -51.99 -46.48 64.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.258 2.223 . . . . 0.0 113.754 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -56.48 -43.71 79.92 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.389 -0.82 . . . . 0.0 110.773 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -56.21 23.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.229 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 pt -53.79 -42.79 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.782 0.719 . . . . 0.0 112.569 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.52 -39.23 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 118.885 -0.578 . . . . 0.0 111.215 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.0 m -53.19 -47.37 68.92 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.046 0.839 . . . . 0.0 110.293 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.87 -63.52 1.18 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.833 0.853 . . . . 0.0 110.165 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -53.93 -41.1 67.35 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.58 -49.1 78.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.946 1.298 . . . . 0.0 111.566 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -76.38 -44.95 34.05 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.272 1.429 . . . . 0.0 114.851 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.8 t -57.29 132.78 54.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.281 1.832 . . . . 0.0 113.914 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -129.78 3.51 4.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.433 2.293 . . . . 0.0 112.236 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -58.46 118.19 5.32 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.969 1.707 . . . . 0.0 109.822 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 3.25 1.87 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -146.25 20.22 1.39 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.492 1.517 . . . . 0.0 114.722 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.29 137.29 94.4 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-N 119.454 1.024 . . . . 0.0 108.607 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -58.23 -14.91 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 124.008 3.139 . . . . 0.0 116.748 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.62 -52.13 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.598 1.09 . . . . 0.0 111.499 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.89 -48.38 70.16 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.955 1.702 . . . . 0.0 112.685 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.06 -63.47 2.94 Favored Pre-proline 0 CA--C 1.546 0.803 0 CA-C-O 116.904 -1.522 . . . . 0.0 112.465 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -57.42 -37.49 97.26 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.308 2.006 . . . . 0.0 113.112 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.53 -45.02 95.96 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.493 -0.754 . . . . 0.0 111.657 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.145 176.324 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -126.02 115.64 24.06 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.085 1.754 . . . . 0.0 107.448 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.39 171.09 16.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.262 2.642 . . . . 0.0 113.627 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -110.66 63.77 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.258 1.423 . . . . 0.0 108.903 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.38 170.78 11.2 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.656 173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 52.7 p -140.84 169.32 17.84 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.283 1.033 . . . . 0.0 110.58 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p -54.64 -50.32 68.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.209 1.004 . . . . 0.0 109.455 174.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.68 -57.84 8.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.759 1.624 . . . . 0.0 111.835 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.04 -52.14 52.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.797 0.839 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.06 -49.73 76.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.424 1.09 . . . . 0.0 112.157 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -56.4 -46.72 80.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.949 1.3 . . . . 0.0 111.813 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.1 t -61.38 -50.54 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.164 1.786 . . . . 0.0 112.213 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -75.88 -34.73 60.0 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.82 74.78 37.61 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.492 1.117 . . . . 0.0 112.142 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.5 138.16 65.94 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.19 3.26 . . . . 0.0 114.515 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.27 127.96 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.513 1.925 . . . . 0.0 108.93 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 . . . . . 0 N--CA 1.474 0.733 0 C-N-CA 124.941 1.296 . . . . 0.0 114.211 -176.579 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.12 138.12 26.3 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 129.431 3.093 . . . . 0.0 110.676 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.04 157.25 47.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.144 1.378 . . . . 0.0 114.314 -175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 53.53 -144.41 25.68 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 127.188 2.328 . . . . 0.0 116.472 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.87 -30.75 62.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.82 -31.05 58.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.947 0.794 . . . . 0.0 111.769 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.85 -64.8 0.76 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.51 -43.42 75.66 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.317 1.447 . . . . 0.0 112.009 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -56.57 -51.22 69.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.821 1.248 . . . . 0.0 110.543 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.15 87.14 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 111.65 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.22 -46.42 90.51 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.273 1.029 . . . . 0.0 112.731 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.54 -20.65 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.35 -22.76 65.23 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.937 1.244 . . . . 0.0 114.067 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 14.2 t -62.19 118.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.386 1.074 . . . . 0.0 109.129 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 123.941 0.896 . . . . 0.0 112.922 178.729 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.536 0.208 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.37 138.52 14.81 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.578 1.551 . . . . 0.0 111.327 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -60.42 -39.31 67.44 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.924 2.416 . . . . 0.0 113.492 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.97 -34.15 74.86 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.92 -1.112 . . . . 0.0 111.26 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.96 -41.73 96.9 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.85 -1.156 . . . . 0.0 109.647 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.1 -44.0 91.91 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.255 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -53.86 -49.37 68.65 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.739 1.154 . . . . 0.0 110.957 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.73 -42.44 97.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.88 1.272 . . . . 0.0 111.543 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.48 -46.7 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 110.143 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -50.99 -56.46 12.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -44.94 94.84 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.941 0.791 . . . . 0.0 111.677 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -55.27 -45.51 76.13 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.175 0.898 . . . . 0.0 112.074 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.66 -55.39 34.68 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.266 1.826 . . . . 0.0 109.902 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.5 -51.2 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.415 1.486 . . . . 0.0 112.363 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.29 -47.15 79.23 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.006 0.821 . . . . 0.0 111.688 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.96 -48.83 80.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.08 0.952 . . . . 0.0 112.096 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.2 mt -56.49 -53.33 58.75 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.177 0.991 . . . . 0.0 110.19 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -54.46 -49.96 68.86 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.739 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.25 -47.12 9.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.129 1.372 . . . . 0.0 114.175 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -71.57 -46.4 59.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.562 -0.711 . . . . 0.0 111.465 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -53.18 -41.15 64.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.337 1.855 . . . . 0.0 112.203 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 129.187 2.995 . . . . 0.0 111.219 177.415 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 14.0 t -53.2 -50.49 64.58 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.268 1.027 . . . . 0.0 109.686 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -54.7 -46.38 74.15 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.626 1.57 . . . . 0.0 111.137 174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -54.74 -52.43 62.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.23 1.012 . . . . 0.0 110.459 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.0 mmt -61.67 -36.91 82.21 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 112.445 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 49.4 mttp -60.56 -40.76 92.8 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.36 1.436 . . . . 0.0 111.424 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -58.61 -49.25 78.17 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.804 0.729 . . . . 0.0 109.805 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.49 -49.0 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.207 1.803 . . . . 0.0 110.403 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.43 -51.59 53.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.046 2.139 . . . . 0.0 112.038 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.26 -44.96 84.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.616 1.166 . . . . 0.0 111.8 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -64.63 -52.28 58.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.638 -0.664 . . . . 0.0 111.397 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.9 mtp -41.97 -51.06 4.52 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.598 1.959 . . . . 0.0 114.747 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -61.61 -46.09 91.32 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.068 0.947 . . . . 0.0 112.744 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -73.2 -32.83 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 113.508 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.4 t -59.02 141.33 54.24 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.806 1.643 . . . . 0.0 112.516 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -131.82 -9.51 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.899 2.079 . . . . 0.0 112.841 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.38 81.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.982 1.313 . . . . 0.0 112.455 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.03 -109.07 2.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.022 1.296 . . . . 0.0 112.535 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -58.86 -38.6 79.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.214 1.406 . . . . 0.0 111.916 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.52 -17.4 61.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.752 1.621 . . . . 0.0 114.872 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.63 118.37 8.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.584 1.084 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -71.55 -22.15 61.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.727 1.211 . . . . 0.0 113.364 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.99 117.66 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.085 1.354 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.31 8.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.195 1.798 . . . . 0.0 112.168 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -54.51 -51.47 65.02 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.975 1.71 . . . . 0.0 113.162 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.32 -57.34 12.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.334 1.454 . . . . 0.0 111.474 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.66 70.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.45 1.1 . . . . 0.0 112.362 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 m -66.19 -57.47 7.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.232 1.413 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -52.21 -45.83 65.4 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.781 2.032 . . . . 0.0 113.545 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -58.27 -43.58 88.0 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.636 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -56.49 20.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.34 1.456 . . . . 0.0 112.963 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -52.58 -45.47 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.048 0.84 . . . . 0.0 112.284 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.97 -38.17 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.301 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.3 m -53.77 -52.87 58.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.057 0.844 . . . . 0.0 110.251 173.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.83 -60.47 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.946 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -52.82 -43.41 65.93 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -44.8 93.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.468 1.107 . . . . 0.0 111.512 176.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.11 -43.93 85.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.568 1.147 . . . . 0.0 112.954 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.7 t -55.67 118.84 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.195 2.198 . . . . 0.0 114.72 -173.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.5 p -127.38 11.42 6.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.986 2.514 . . . . 0.0 111.025 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -59.53 143.85 49.01 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.473 2.309 . . . . 0.0 111.839 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -51.81 -49.79 62.08 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 111.688 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -147.86 127.14 13.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.611 1.564 . . . . 0.0 111.441 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -130.19 143.56 49.67 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 128.362 2.665 . . . . 0.0 106.168 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -62.01 -6.83 8.52 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.059 3.172 . . . . 0.0 117.484 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.65 -43.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.921 1.237 . . . . 0.0 111.634 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.8 m -58.54 -56.18 25.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.561 1.544 . . . . 0.0 111.406 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -37.92 -61.39 0.8 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.371 1.869 . . . . 0.0 115.05 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.0 -38.39 94.77 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.664 2.243 . . . . 0.0 113.798 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.3 mt -73.34 -52.72 12.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.77 1.228 . . . . 0.0 111.605 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 130.711 3.604 . . . . 0.0 111.909 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.12 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 77.7 mt -137.04 138.01 24.51 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.983 2.113 . . . . 0.0 109.667 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -82.01 178.84 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.143 2.562 . . . . 0.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -119.19 60.65 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.715 1.606 . . . . 0.0 108.863 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.17 171.22 12.42 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.054 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.7 p -141.48 169.83 16.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.927 1.291 . . . . 0.0 110.246 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -54.4 -51.51 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.975 0.91 . . . . 0.0 109.586 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -51.91 -58.78 5.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.248 1.419 . . . . 0.0 111.805 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.9 -51.33 61.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.156 0.982 . . . . 0.0 111.896 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 74.6 m -61.8 -48.92 78.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.202 1.001 . . . . 0.0 112.251 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.89 -45.55 82.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.863 1.265 . . . . 0.0 111.379 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.976 1.71 . . . . 0.0 111.811 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -73.19 -38.39 66.16 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.0 76.77 57.86 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.993 1.317 . . . . 0.0 111.715 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.25 142.25 68.46 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 124.152 3.235 . . . . 0.0 114.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 20.5 mt -84.31 147.04 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 125.798 1.639 . . . . 0.0 109.655 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.398 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 122.192 0.996 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 120.69 16.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.593 2.357 . . . . 0.0 106.624 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -138.08 161.86 35.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.626 1.171 . . . . 0.0 114.046 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 62.72 -143.43 48.66 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.589 2.042 . . . . 0.0 115.34 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.51 -35.11 52.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.356 1.062 . . . . 0.0 113.292 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -54.23 -34.29 60.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 0.0 112.129 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.44 -59.98 4.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.293 1.037 . . . . 0.0 109.12 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.47 -44.25 80.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.773 1.229 . . . . 0.0 111.498 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -57.01 -49.2 76.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.65 1.18 . . . . 0.0 110.852 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.87 72.34 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.663 1.185 . . . . 0.0 110.924 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.613 1.097 . . . . 0.0 112.586 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.92 -27.87 69.12 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.397 1.479 . . . . 0.0 114.735 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.56 -15.14 10.07 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.41 -51.57 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.809 1.244 . . . . 0.0 110.93 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.4 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.967 2.907 . . . . 0.0 115.441 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.425 0.155 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.16 134.48 13.64 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.389 1.475 . . . . 0.0 111.713 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.4 -49.49 14.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.929 3.086 . . . . 0.0 114.657 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.45 -40.8 96.41 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.091 -1.006 . . . . 0.0 112.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.97 -37.04 75.88 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.926 0.784 . . . . 0.0 110.568 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -64.05 -45.23 89.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.75 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -54.27 -49.36 69.74 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.631 1.105 . . . . 0.0 110.944 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.18 -46.92 84.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.19 1.396 . . . . 0.0 111.102 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.76 -48.66 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.935 1.294 . . . . 0.0 110.752 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -51.04 -55.12 19.07 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.903 1.229 . . . . 0.0 109.927 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -56.44 14.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.893 1.277 . . . . 0.0 111.468 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -55.1 -43.05 73.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.377 1.071 . . . . 0.0 112.588 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -57.09 -57.0 14.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.821 1.649 . . . . 0.0 109.542 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.97 -48.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.331 1.452 . . . . 0.0 112.368 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.89 -47.09 86.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.5 1.045 . . . . 0.0 111.618 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.41 -43.59 92.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.377 1.071 . . . . 0.0 111.935 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.55 -49.84 75.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.793 0.837 . . . . 0.0 110.185 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -54.54 -49.62 69.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.169 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.92 -52.05 5.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.775 1.63 . . . . 0.0 114.243 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -71.99 -42.87 65.96 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.041 -1.037 . . . . 0.0 111.915 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.18 -38.99 71.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.471 1.108 . . . . 0.0 111.979 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 129.474 3.11 . . . . 0.0 109.707 174.688 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.6 m80 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.7 t -52.57 -43.06 65.02 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.291 1.836 . . . . 0.0 111.602 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -44.77 -51.24 9.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.372 1.869 . . . . 0.0 112.933 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -59.42 -51.82 68.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.551 0.74 . . . . 0.0 110.198 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -58.79 -41.36 86.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.825 -0.607 . . . . 0.0 112.626 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -62.62 -45.91 90.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.387 1.475 . . . . 0.0 111.266 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.73 -48.62 80.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.243 0.617 . . . . 0.0 110.463 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.21 -50.55 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.626 1.571 . . . . 0.0 110.677 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.46 -53.24 39.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.383 2.273 . . . . 0.0 111.643 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -55.11 -45.22 75.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.061 0.944 . . . . 0.0 111.674 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -63.11 -50.83 68.94 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.657 -0.652 . . . . 0.0 110.828 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -48.04 11.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.343 2.657 . . . . 0.0 114.947 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -62.61 -45.88 90.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.469 -0.769 . . . . 0.0 112.437 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -69.62 -49.64 52.0 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.472 1.509 . . . . 0.0 112.344 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.3 145.91 54.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.37 1.468 . . . . 0.0 111.107 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -131.75 5.47 4.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.505 1.922 . . . . 0.0 112.383 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.09 -58.0 3.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.987 1.315 . . . . 0.0 112.775 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 -89.09 0.21 Allowed Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.775 1.178 . . . . 0.0 113.436 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -58.18 -47.99 81.69 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.893 1.277 . . . . 0.0 111.283 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.29 -13.8 59.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.387 1.475 . . . . 0.0 114.462 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.1 133.09 49.99 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.174 0.897 . . . . 0.0 111.367 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.03 -32.7 74.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.987 1.315 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.97 114.99 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.4 1.48 . . . . 0.0 110.672 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.15 60.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.563 1.545 . . . . 0.0 112.091 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -60.54 -38.69 85.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.257 1.423 . . . . 0.0 113.693 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.76 -57.23 13.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.423 1.465 . . . . 0.0 109.987 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.34 -44.01 61.91 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.829 1.251 . . . . 0.0 112.436 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -69.16 -58.79 3.59 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.543 1.537 . . . . 0.0 113.566 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 p -51.4 -41.81 60.99 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 114.425 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -61.42 -37.81 84.84 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.939 -1.101 . . . . 0.0 111.988 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -55.2 13.78 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.347 1.859 . . . . 0.0 111.889 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.16 -44.07 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.729 0.695 . . . . 0.0 112.794 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -69.46 -40.18 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.438 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -53.64 -50.66 65.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.961 0.801 . . . . 0.0 109.89 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.05 -63.97 0.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.713 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -52.32 -44.92 65.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.103 1.319 . . . . 0.0 114.153 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -58.96 -46.24 88.55 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.597 1.159 . . . . 0.0 112.071 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -73.91 -40.14 63.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.871 1.268 . . . . 0.0 113.497 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.76 122.71 13.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 113.155 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -134.23 24.72 3.85 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.059 2.544 . . . . 0.0 110.195 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -65.09 149.53 49.72 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 128.459 2.704 . . . . 0.0 112.707 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -51.55 -50.67 59.6 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.938 1.695 . . . . 0.0 111.176 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.91 127.1 9.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.952 1.701 . . . . 0.0 110.782 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -130.73 144.04 51.83 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.866 2.866 . . . . 0.0 105.795 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -63.29 5.71 0.29 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.533 3.489 . . . . 0.0 117.517 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.84 -51.11 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 119.885 1.221 . . . . 0.0 109.693 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.3 m -52.4 -50.09 63.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.384 2.273 . . . . 0.0 112.136 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.33 -64.75 1.22 Allowed Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 116.886 -1.53 . . . . 0.0 112.491 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -58.64 -40.85 69.75 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.236 1.957 . . . . 0.0 113.305 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -57.01 -46.12 82.55 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.186 0.903 . . . . 0.0 111.699 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.5 tttp . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 125.882 1.673 . . . . 0.0 111.173 175.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.6 mt -138.39 120.58 10.64 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 127.33 2.252 . . . . 0.0 108.154 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -79.58 175.03 11.08 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.745 2.297 . . . . 0.0 113.09 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -122.26 68.2 0.94 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.151 1.78 . . . . 0.0 107.952 172.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.0 175.83 4.84 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.348 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -140.57 168.38 19.94 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 109.614 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.1 p -55.34 -47.71 75.31 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.09 -59.22 4.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.234 1.814 . . . . 0.0 111.585 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.31 -52.46 52.93 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.756 0.822 . . . . 0.0 111.718 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.66 -50.42 72.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.822 1.249 . . . . 0.0 112.427 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -53.26 -48.43 68.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.387 1.475 . . . . 0.0 111.703 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.39 -50.97 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.341 1.856 . . . . 0.0 112.602 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -76.25 -41.05 50.32 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.98 81.59 61.88 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 125.954 1.702 . . . . 0.0 111.293 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.01 167.62 5.42 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.738 3.625 . . . . 0.0 115.414 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.65 128.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.448 1.899 . . . . 0.0 108.528 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.935 0.894 . . . . 0.0 113.102 -178.381 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 142.55 56.85 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.664 1.985 . . . . 0.0 110.619 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -128.85 149.72 50.64 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.13 -132.83 4.27 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 127.49 2.471 . . . . 0.0 117.556 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.67 -37.05 58.1 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 114.376 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.73 -31.98 59.06 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.99 -65.35 0.61 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 108.997 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.98 -44.53 70.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.592 1.157 . . . . 0.0 111.48 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -55.3 -51.07 67.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.501 1.121 . . . . 0.0 111.199 175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.71 96.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.207 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.29 -45.09 93.03 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.095 0.958 . . . . 0.0 112.42 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.17 -35.67 71.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.689 1.596 . . . . 0.0 115.229 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.4 -18.78 0.69 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -61.15 -37.93 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.211 1.404 . . . . 0.0 112.027 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.58 140.78 15.54 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.985 1.314 . . . . 0.0 111.887 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -57.29 -33.62 96.43 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.365 2.71 . . . . 0.0 113.92 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -64.96 -47.89 76.01 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.389 0.995 . . . . 0.0 110.247 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.24 -40.23 93.27 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.808 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -61.67 -48.7 79.64 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.683 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -61.19 -37.9 84.59 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.221 1.373 . . . . 0.0 111.931 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.8 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.962 . . . . 0.0 110.329 173.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -58.02 -49.13 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.605 1.562 . . . . 0.0 110.363 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -51.39 -54.11 29.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.671 1.188 . . . . 0.0 110.799 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -54.45 -57.55 10.9 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.53 1.532 . . . . 0.0 110.55 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.5 -47.23 57.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.945 1.698 . . . . 0.0 112.886 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.52 -55.77 28.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.822 1.649 . . . . 0.0 109.47 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.06 -48.58 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.33 1.452 . . . . 0.0 112.084 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -56.04 -48.5 75.89 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.35 0.977 . . . . 0.0 111.734 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.9 -47.32 83.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.812 1.245 . . . . 0.0 111.796 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.45 -50.44 73.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.581 1.153 . . . . 0.0 110.509 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -54.58 -53.0 60.33 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.744 0.818 . . . . 0.0 110.548 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.57 -49.53 13.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 113.56 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -63.81 -48.0 78.61 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.055 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -56.59 -45.88 81.15 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 119.407 1.003 . . . . 0.0 111.532 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 126.711 2.005 . . . . 0.0 110.327 176.511 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.0 m80 . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 53.9 t -52.43 -50.23 63.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.277 1.431 . . . . 0.0 111.365 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -52.58 -44.4 65.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.843 1.257 . . . . 0.0 111.89 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -60.76 -49.5 77.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.28 1.032 . . . . 0.0 109.959 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -59.48 -38.58 81.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.342 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 45.4 mttp -60.68 -42.96 98.17 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.266 1.394 . . . . 0.0 111.415 175.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -60.18 -48.81 80.18 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.563 0.745 . . . . 0.0 109.925 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.31 -55.72 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.359 1.463 . . . . 0.0 110.041 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -49.42 -55.82 11.79 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.493 2.717 . . . . 0.0 112.261 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -54.92 -45.47 74.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.959 1.304 . . . . 0.0 111.853 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.22 -48.48 70.42 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.712 -0.617 . . . . 0.0 110.58 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.68 -47.9 7.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.077 2.551 . . . . 0.0 114.871 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -63.17 -47.56 82.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.158 0.983 . . . . 0.0 112.407 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.89 -45.39 67.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.577 1.551 . . . . 0.0 112.374 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.72 141.75 57.66 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.302 1.841 . . . . 0.0 111.212 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -126.21 -3.92 6.83 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.329 1.452 . . . . 0.0 112.863 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.6 -55.86 6.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 112.164 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -88.12 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.016 1.293 . . . . 0.0 112.66 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -56.34 -48.53 76.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.832 1.653 . . . . 0.0 111.735 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.52 -13.01 58.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.16 134.01 51.86 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.924 1.238 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.3 -36.06 82.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.237 1.415 . . . . 0.0 113.266 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.04 124.2 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.492 1.517 . . . . 0.0 110.506 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.55 -64.3 0.87 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.496 1.518 . . . . 0.0 112.926 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.975 1.31 . . . . 0.0 114.411 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.78 -47.56 70.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.288 1.435 . . . . 0.0 111.759 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.24 -54.08 42.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.804 1.242 . . . . 0.0 111.494 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m -58.64 -54.09 51.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.279 1.832 . . . . 0.0 114.157 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p -52.69 -34.2 50.97 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.512 1.925 . . . . 0.0 114.026 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -67.62 -52.82 33.79 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.857 0.753 . . . . 0.0 109.794 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -56.09 10.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.695 1.998 . . . . 0.0 112.706 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.51 -45.07 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.7 mm -73.99 -38.54 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.66 0.784 . . . . 0.0 111.615 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -53.45 -48.52 68.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.877 1.271 . . . . 0.0 109.241 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -58.74 -64.99 0.73 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.602 1.161 . . . . 0.0 109.891 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -47.82 -47.05 31.34 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -59.51 -47.88 83.8 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.143 0.977 . . . . 0.0 112.224 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -71.36 -34.73 70.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.325 . . . . 0.0 113.685 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.31 121.56 14.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.14 1.776 . . . . 0.0 113.538 -175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -133.61 29.92 3.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.777 2.831 . . . . 0.0 110.208 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.82 155.41 6.04 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 128.338 2.655 . . . . 0.0 114.072 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -59.6 -50.84 72.33 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 169.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -154.75 128.13 8.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.962 2.105 . . . . 0.0 111.197 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -129.17 142.05 43.87 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.92 -13.49 27.42 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.411 2.741 . . . . 0.0 116.938 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.22 -51.62 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.473 1.033 . . . . 0.0 110.505 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.1 m -52.01 -54.05 34.55 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.178 2.191 . . . . 0.0 113.364 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.65 -61.2 6.64 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 117.271 -1.347 . . . . 0.0 111.851 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.23 -43.82 52.41 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.152 1.901 . . . . 0.0 113.442 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.53 -51.59 69.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.163 0.892 . . . . 0.0 111.601 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 125.625 1.57 . . . . 0.0 110.994 178.304 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.538 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.05 123.52 83.44 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.52 0.728 . . . . 0.0 112.231 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.01 -167.54 0.43 Allowed 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.201 3.267 . . . . 0.0 112.145 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.05 62.46 1.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.824 1.649 . . . . 0.0 108.69 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.91 167.93 19.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.522 175.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 73.5 p -138.95 170.47 15.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.49 1.516 . . . . 0.0 109.516 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.2 p -57.62 -47.07 83.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.878 -0.514 . . . . 0.0 109.894 175.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.01 -56.73 12.5 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.088 1.355 . . . . 0.0 111.894 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.21 -49.31 69.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.811 0.844 . . . . 0.0 111.705 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 78.1 m -61.66 -49.47 76.39 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.368 1.067 . . . . 0.0 112.094 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.86 -49.92 69.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.208 1.403 . . . . 0.0 111.256 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.68 -50.4 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.156 1.783 . . . . 0.0 112.174 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -73.82 -39.88 63.76 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.01 79.14 33.38 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.446 1.498 . . . . 0.0 111.49 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.75 141.48 79.0 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.629 2.886 . . . . 0.0 113.965 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.26 141.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.991 1.316 . . . . 0.0 107.75 173.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 N--CA 1.476 0.873 0 CA-C-N 119.067 0.849 . . . . 0.0 112.679 -179.549 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 120.895 0.378 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 136.32 54.34 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.095 2.558 . . . . 0.0 109.762 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -126.81 161.99 26.93 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.82 -136.81 3.73 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 128.007 2.718 . . . . 0.0 117.601 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.45 -36.94 55.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.902 1.281 . . . . 0.0 113.848 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.98 -30.77 62.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.732 0.813 . . . . 0.0 112.249 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.98 -60.58 3.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.56 -44.92 77.28 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.983 1.313 . . . . 0.0 111.552 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -57.12 -49.47 75.79 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.111 0.964 . . . . 0.0 111.092 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.33 85.8 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.498 1.119 . . . . 0.0 111.243 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 mt -59.97 -48.03 83.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.339 1.055 . . . . 0.0 112.435 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.03 -20.04 64.95 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -60.9 -24.8 66.27 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 9.6 t -62.94 122.27 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.422 -0.799 . . . . 0.0 112.747 179.419 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.651 0.262 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.2 134.64 10.85 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.891 1.676 . . . . 0.0 111.377 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -58.18 -36.12 98.12 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.39 2.727 . . . . 0.0 113.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.39 -56.84 13.04 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.692 1.133 . . . . 0.0 110.109 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -53.61 -41.78 67.0 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.386 174.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.33 -55.19 36.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.644 1.111 . . . . 0.0 111.347 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.06 -34.52 75.03 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 121.013 1.733 . . . . 0.0 113.538 177.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.51 -43.88 98.07 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.054 0.942 . . . . 0.0 110.338 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.0 -49.36 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.202 1.401 . . . . 0.0 109.535 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -50.24 -49.91 51.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.457 1.026 . . . . 0.0 110.639 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -56.29 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.992 1.317 . . . . 0.0 110.993 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -53.14 -43.35 66.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.333 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -57.67 10.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.415 1.486 . . . . 0.0 110.746 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.37 -47.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.033 0.933 . . . . 0.0 111.325 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.47 -47.53 79.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.305 0.642 . . . . 0.0 112.048 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 tp -62.07 -49.07 77.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.105 1.362 . . . . 0.0 112.489 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.61 -51.5 65.14 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.47 0.708 . . . . 0.0 110.187 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -58.1 -46.28 85.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.122 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.22 13.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.715 1.606 . . . . 0.0 113.684 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -71.17 -51.14 26.5 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.479 -0.763 . . . . 0.0 110.477 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -51.21 -45.3 61.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.589 1.155 . . . . 0.0 113.013 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 129.016 2.926 . . . . 0.0 112.178 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.46 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 10.3 t -57.09 -47.01 82.08 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.062 1.345 . . . . 0.0 109.544 172.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -44.79 79.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.078 1.751 . . . . 0.0 111.517 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.6 m -58.58 -50.36 74.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.848 0.859 . . . . 0.0 110.064 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.3 mmt -57.76 -37.49 73.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.34 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 59.9 mttp -60.98 -43.77 98.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.804 1.638 . . . . 0.0 111.873 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -60.23 -46.58 89.3 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.512 0.725 . . . . 0.0 110.222 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.64 -52.75 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.773 1.629 . . . . 0.0 110.284 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.33 -51.43 34.42 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 128.622 2.769 . . . . 0.0 111.838 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -53.57 -54.84 31.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.38 -49.36 74.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.879 0.471 . . . . 0.0 110.336 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -48.63 15.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.463 1.905 . . . . 0.0 113.63 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -41.21 94.46 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -68.48 -39.86 81.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.909 0.884 . . . . 0.0 112.276 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.9 t -60.18 139.62 57.43 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.237 1.815 . . . . 0.0 111.466 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -131.41 11.15 4.9 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.235 1.814 . . . . 0.0 111.985 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.03 161.64 15.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.388 1.075 . . . . 0.0 111.242 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.11 -117.18 2.8 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.77 -18.53 62.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.843 1.257 . . . . 0.0 113.053 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.09 73.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.794 2.038 . . . . 0.0 116.109 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.2 t -61.5 115.03 3.58 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.877 0.762 . . . . 0.0 110.404 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.45 -22.94 63.61 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.76 1.224 . . . . 0.0 113.7 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.97 114.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.903 1.281 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.5 -59.19 3.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.891 1.677 . . . . 0.0 112.103 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -54.34 -45.34 72.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.102 1.361 . . . . 0.0 113.174 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.11 -56.81 17.17 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.704 1.138 . . . . 0.0 110.705 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -52.12 55.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.926 1.29 . . . . 0.0 112.73 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 p -66.0 -52.35 50.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.684 0.793 . . . . 0.0 112.991 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -53.22 -43.88 67.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.802 1.241 . . . . 0.0 113.472 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -58.19 -47.07 84.58 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.995 -1.065 . . . . 0.0 110.567 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -55.01 37.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.442 1.497 . . . . 0.0 113.085 177.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.5 pt -53.5 -45.94 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.592 1.087 . . . . 0.0 112.72 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.1 mm -66.73 -40.97 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.263 0.483 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.81 -50.08 64.36 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.734 0.814 . . . . 0.0 110.369 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -59.65 -61.53 2.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 110.609 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -52.76 -42.32 64.86 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.76 -44.84 95.13 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.728 1.211 . . . . 0.0 112.171 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -74.11 -48.52 29.04 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.233 1.413 . . . . 0.0 113.57 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.23 122.19 15.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.612 1.565 . . . . 0.0 113.099 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.1 p -134.74 21.22 3.57 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.769 2.028 . . . . 0.0 111.119 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -60.19 150.99 28.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.706 2.002 . . . . 0.0 112.858 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -56.35 -32.35 64.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.395 1.078 . . . . 0.0 112.145 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.91 134.47 15.4 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.538 1.535 . . . . 0.0 112.136 172.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.45 142.67 16.55 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 128.118 2.567 . . . . 0.0 104.461 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.86 0.48 1.54 Allowed 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.822 3.015 . . . . 0.0 117.164 -174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.4 -49.63 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 119.927 1.239 . . . . 0.0 110.403 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.6 m -52.45 -52.93 51.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.483 1.913 . . . . 0.0 112.055 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.9 -62.34 3.53 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 116.735 -1.603 . . . . 0.0 113.506 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -57.04 -33.78 96.37 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.349 2.032 . . . . 0.0 114.075 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.05 -46.68 64.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.503 1.121 . . . . 0.0 111.578 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.0 tttt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 126.293 1.837 . . . . 0.0 110.893 176.383 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.28 130.61 22.66 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 108.112 171.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -82.15 -173.02 1.6 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.512 2.808 . . . . 0.0 111.861 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -122.85 60.12 1.04 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.647 1.579 . . . . 0.0 108.284 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.01 156.63 35.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.044 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 72.9 p -128.2 170.45 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.304 1.042 . . . . 0.0 110.76 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -55.67 -49.89 71.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 109.254 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -52.34 -56.5 14.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.961 1.304 . . . . 0.0 112.29 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -54.46 -49.55 69.79 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.374 0.67 . . . . 0.0 111.718 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.4 m -62.84 -46.9 85.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.337 1.055 . . . . 0.0 112.2 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.13 -49.35 72.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.161 1.384 . . . . 0.0 111.295 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.85 -51.06 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.296 1.839 . . . . 0.0 112.298 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -76.4 -33.8 58.85 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -142.19 77.71 17.69 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 125.225 1.41 . . . . 0.0 112.183 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.43 131.59 45.56 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.924 3.083 . . . . 0.0 113.972 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 17.4 mt -63.13 129.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.326 1.05 . . . . 0.0 108.725 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.549 0.69 . . . . 0.0 111.738 -179.733 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.366 0.603 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.87 130.67 47.92 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.711 2.805 . . . . 0.0 109.28 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -136.95 163.41 30.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.019 1.327 . . . . 0.0 113.891 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.95 -141.35 36.95 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 127.146 2.308 . . . . 0.0 116.608 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.12 -40.49 32.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.386 1.475 . . . . 0.0 114.35 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -55.11 -30.12 59.07 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.925 0.89 . . . . 0.0 112.748 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -57.66 -62.1 2.04 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.02 0.928 . . . . 0.0 109.195 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.99 -43.68 73.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.314 1.046 . . . . 0.0 111.479 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -57.77 -49.33 76.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.997 0.919 . . . . 0.0 111.032 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.3 88.97 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.06 -43.84 77.71 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.505 1.122 . . . . 0.0 112.62 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.44 -31.7 69.53 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.54 -18.18 17.83 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.51 -60.71 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 112.062 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.27 0.4 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.422 2.689 . . . . 0.0 115.034 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.388 0.137 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -147.8 140.4 14.67 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.465 1.506 . . . . 0.0 111.661 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.31 -38.27 91.46 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.027 2.484 . . . . 0.0 114.024 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -40.75 95.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.105 1.32 . . . . 0.0 111.706 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.61 -39.77 81.39 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.47 -0.769 . . . . 0.0 109.653 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -58.85 -50.19 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -51.56 -52.25 48.78 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.735 1.214 . . . . 0.0 111.198 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -56.34 -48.44 76.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.417 1.487 . . . . 0.0 111.928 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.18 -52.63 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.804 1.241 . . . . 0.0 109.85 176.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.48 -57.78 5.62 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.084 1.754 . . . . 0.0 112.372 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -57.62 -50.12 74.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.522 0.601 . . . . 0.0 111.983 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.18 -39.48 79.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.331 0.969 . . . . 0.0 113.111 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.42 -51.61 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 109.079 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.52 -51.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.437 1.095 . . . . 0.0 111.285 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.54 -46.39 80.68 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.92 0.888 . . . . 0.0 113.184 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.17 -45.86 91.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.977 0.911 . . . . 0.0 111.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.65 -47.94 80.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.436 0.694 . . . . 0.0 110.147 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.35 -52.0 64.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.144 0.978 . . . . 0.0 110.834 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.0 -43.88 4.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.31 1.844 . . . . 0.0 114.737 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -75.56 -48.15 23.65 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.59 -0.694 . . . . 0.0 111.724 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -57.32 -37.56 72.68 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.051 0.842 . . . . 0.0 112.874 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 t . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 128.041 2.537 . . . . 0.0 111.546 177.652 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.2 m80 . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -53.93 -47.68 70.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.913 1.685 . . . . 0.0 110.201 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -39.71 68.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.081 1.352 . . . . 0.0 112.263 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -61.04 -52.15 66.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.703 0.801 . . . . 0.0 109.303 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.8 mmt -58.32 -38.37 76.98 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.356 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.18 -45.2 93.93 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.639 1.563 . . . . 0.0 111.61 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -59.45 -46.48 88.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.591 0.756 . . . . 0.0 110.193 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.0 -53.21 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.582 1.553 . . . . 0.0 110.569 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.38 -52.01 41.07 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.858 2.863 . . . . 0.0 111.639 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.73 -45.56 77.95 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.057 1.343 . . . . 0.0 111.881 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.42 -51.4 63.36 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.663 -0.648 . . . . 0.0 110.293 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.98 -49.57 5.98 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 128.265 2.626 . . . . 0.0 114.893 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 p -61.78 -50.74 71.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.871 0.868 . . . . 0.0 112.221 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -67.65 -42.82 81.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.962 1.705 . . . . 0.0 113.199 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.1 143.78 47.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.362 1.865 . . . . 0.0 112.547 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -130.58 -2.22 4.3 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.429 1.892 . . . . 0.0 113.09 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.63 65.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.13 1.372 . . . . 0.0 113.741 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.53 -99.79 0.11 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.375 1.464 . . . . 0.0 113.539 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -56.11 -42.37 76.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.637 1.575 . . . . 0.0 111.617 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 -16.9 58.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.985 1.714 . . . . 0.0 114.666 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.24 122.84 18.74 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.348 0.976 . . . . 0.0 111.249 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -68.67 -26.7 65.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.96 1.304 . . . . 0.0 113.303 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.21 116.66 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.925 1.29 . . . . 0.0 111.195 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.54 9.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.152 1.781 . . . . 0.0 112.514 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -58.34 -39.73 80.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.176 1.791 . . . . 0.0 113.803 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.2 t -59.29 -60.03 4.51 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.035 1.334 . . . . 0.0 110.013 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.95 61.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.617 1.167 . . . . 0.0 112.085 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.7 m -62.4 -59.19 5.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.599 1.56 . . . . 0.0 112.878 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -54.9 -42.96 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.827 1.651 . . . . 0.0 112.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -54.84 -48.78 72.43 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.365 -0.835 . . . . 0.0 110.424 173.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -55.58 33.29 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.943 1.697 . . . . 0.0 113.071 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -45.53 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.201 0.909 . . . . 0.0 112.462 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.62 -40.95 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.548 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -52.74 -50.96 62.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.374 0.67 . . . . 0.0 110.049 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.36 -61.84 2.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.206 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -48.94 -44.43 40.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -66.44 -49.83 65.4 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.453 1.101 . . . . 0.0 112.235 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.35 -39.87 92.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.034 1.333 . . . . 0.0 113.662 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.3 t -60.72 115.71 3.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.976 1.711 . . . . 0.0 112.843 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -130.65 19.49 5.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.476 2.31 . . . . 0.0 111.236 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -62.35 154.03 29.25 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.743 2.817 . . . . 0.0 112.148 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -49.72 -52.21 33.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.986 1.314 . . . . 0.0 110.45 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.66 137.25 16.86 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.352 1.461 . . . . 0.0 112.712 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.28 141.2 38.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.787 2.835 . . . . 0.0 105.14 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.72 -10.25 13.73 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.944 3.096 . . . . 0.0 117.185 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.2 t -128.16 -49.04 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 120.048 1.294 . . . . 0.0 111.509 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.3 m -54.88 -58.59 6.99 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.802 1.641 . . . . 0.0 112.55 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.86 -58.66 9.49 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.675 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -54.11 -44.01 53.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 122.527 1.938 . . . . 0.0 113.482 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.85 -48.51 81.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.82 1.248 . . . . 0.0 112.32 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 mttm . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 124.856 1.263 . . . . 0.0 111.696 177.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.1 130.88 23.85 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.272 1.829 . . . . 0.0 108.473 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.43 -172.57 1.17 Allowed 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.985 3.123 . . . . 0.0 113.231 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.86 62.77 1.06 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.412 1.885 . . . . 0.0 108.364 171.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.43 169.71 11.9 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.495 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -140.15 169.83 16.97 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.105 0.962 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p -52.39 -50.29 62.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.84 1.256 . . . . 0.0 109.958 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -52.49 -61.97 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.534 1.533 . . . . 0.0 112.073 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -52.7 35.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.579 1.152 . . . . 0.0 111.962 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.23 -50.26 73.81 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.327 1.051 . . . . 0.0 112.424 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.39 -43.84 88.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.91 1.284 . . . . 0.0 111.916 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -59.63 -49.03 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.678 1.591 . . . . 0.0 111.549 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -74.76 -39.61 61.7 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -134.94 77.69 55.97 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.867 1.267 . . . . 0.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.33 125.44 19.17 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.023 3.149 . . . . 0.0 114.181 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.99 124.06 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.231 1.413 . . . . 0.0 108.688 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.695 0.759 . . . . 0.0 112.685 -176.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 30.2 mt . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.39 132.95 10.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.098 2.559 . . . . 0.0 109.553 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 165.61 26.98 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.46 -145.66 27.12 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.472 1.987 . . . . 0.0 116.159 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.93 -33.8 57.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -57.29 -27.09 61.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.92 0.888 . . . . 0.0 112.433 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -62.11 2.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 108.532 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.44 -42.92 71.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.254 1.422 . . . . 0.0 110.844 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -55.92 -50.67 70.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.438 1.495 . . . . 0.0 110.947 173.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.21 94.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.5 1.12 . . . . 0.0 111.968 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.51 -38.84 91.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.713 1.205 . . . . 0.0 112.458 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.37 -32.14 73.62 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -56.66 -14.98 3.69 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.99 -39.91 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.315 1.846 . . . . 0.0 112.597 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.155 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -141.33 137.36 16.55 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.493 1.917 . . . . 0.0 110.415 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -58.67 -42.69 51.39 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.956 2.437 . . . . 0.0 113.412 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.36 -41.51 98.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.515 1.052 . . . . 0.0 111.857 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.81 -37.6 74.07 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.091 0.859 . . . . 0.0 110.808 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.43 -45.1 88.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.987 0.812 . . . . 0.0 110.553 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -55.45 -47.22 76.37 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.702 1.201 . . . . 0.0 111.197 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.83 -47.19 85.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.675 1.59 . . . . 0.0 111.15 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -59.41 -52.45 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.082 1.353 . . . . 0.0 110.027 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -46.73 -56.81 5.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.541 1.937 . . . . 0.0 112.477 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.52 -49.23 75.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.873 0.76 . . . . 0.0 112.385 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.76 -35.52 76.63 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.104 0.865 . . . . 0.0 112.778 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.01 -55.52 31.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.551 1.541 . . . . 0.0 108.626 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.93 -46.46 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.594 1.558 . . . . 0.0 111.89 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -57.52 -51.31 69.97 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.459 1.027 . . . . 0.0 112.127 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.43 -42.56 82.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.211 1.405 . . . . 0.0 111.997 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.33 -50.1 74.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.076 0.95 . . . . 0.0 110.682 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -54.13 -49.93 68.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.232 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.14 -55.04 2.73 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.663 1.585 . . . . 0.0 113.602 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.59 -39.26 64.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.143 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -53.53 -49.99 66.42 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.535 1.516 . . . . 0.0 110.167 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 128.956 2.902 . . . . 0.0 110.637 175.087 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.7 t -53.0 -46.55 68.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.028 0.931 . . . . 0.0 109.473 172.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -53.3 -47.39 69.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.794 1.638 . . . . 0.0 111.546 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -57.56 -52.64 64.59 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.438 1.095 . . . . 0.0 110.034 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.9 mmt -59.74 -40.82 89.35 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.483 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -57.8 -44.2 86.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.461 1.482 . . . . 0.0 111.386 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -61.28 -48.95 79.05 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.872 0.869 . . . . 0.0 110.401 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.0 t -55.31 -56.02 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.579 1.552 . . . . 0.0 110.273 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.03 -55.87 9.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.442 3.097 . . . . 0.0 111.941 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -51.11 -56.58 11.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.402 1.081 . . . . 0.0 110.786 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.32 -47.53 78.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.951 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -49.63 15.0 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.592 1.957 . . . . 0.0 112.918 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -45.3 94.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.825 0.85 . . . . 0.0 112.958 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -71.08 -45.53 63.56 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.424 1.09 . . . . 0.0 112.681 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.74 106.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.756 2.423 . . . . 0.0 111.902 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.69 -16.58 60.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.875 1.27 . . . . 0.0 113.883 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.53 -177.72 2.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.151 1.38 . . . . 0.0 112.722 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.26 -109.32 1.75 Allowed Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.706 1.622 . . . . 0.0 110.462 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.28 67.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.65 0.78 . . . . 0.0 112.829 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.38 71.35 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.96 121.38 11.67 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.653 1.115 . . . . 0.0 110.228 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.07 -23.91 67.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.168 1.387 . . . . 0.0 114.444 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 115.96 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.954 1.302 . . . . 0.0 109.648 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.09 -55.93 4.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.519 1.927 . . . . 0.0 113.637 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -63.78 -45.97 87.34 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.854 1.262 . . . . 0.0 113.35 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.13 -49.7 73.18 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.751 1.221 . . . . 0.0 110.758 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.65 -60.53 3.31 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.13 0.972 . . . . 0.0 110.306 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.7 m -55.85 -52.67 63.23 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.525 2.33 . . . . 0.0 115.545 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 p -51.78 -33.11 33.81 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.318 1.847 . . . . 0.0 115.149 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -58.9 -54.36 48.02 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.237 -0.914 . . . . 0.0 111.501 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -51.02 66.31 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.388 0.994 . . . . 0.0 113.102 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -52.53 -43.37 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.24 0.927 . . . . 0.0 112.958 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.82 -42.27 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.653 0.781 . . . . 0.0 111.454 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 m -52.94 -48.3 67.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.443 1.097 . . . . 0.0 110.527 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.63 -63.31 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 109.601 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -49.92 -45.24 50.87 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -64.17 -44.13 93.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.01 -42.48 63.19 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.766 1.226 . . . . 0.0 113.466 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 128.67 38.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.898 1.679 . . . . 0.0 113.649 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -135.1 14.96 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.203 2.201 . . . . 0.0 111.228 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -62.62 135.31 57.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.263 2.225 . . . . 0.0 111.059 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -53.51 -39.0 64.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.816 1.646 . . . . 0.0 114.636 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -141.27 45.89 1.74 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.24 137.53 97.15 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -58.8 -15.39 26.33 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.029 3.153 . . . . 0.0 116.618 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 -51.66 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.606 1.093 . . . . 0.0 110.914 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 m -53.92 -49.42 68.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.312 1.845 . . . . 0.0 113.127 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.58 -62.36 4.64 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 116.942 -1.504 . . . . 0.0 112.487 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -57.33 -35.01 98.86 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.406 2.071 . . . . 0.0 113.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.3 -49.67 66.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.857 0.863 . . . . 0.0 111.578 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 125.522 1.529 . . . . 0.0 111.536 178.127 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -130.19 119.85 18.87 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.226 1.41 . . . . 0.0 108.36 170.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.21 174.13 13.34 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.245 2.63 . . . . 0.0 112.402 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -112.29 64.83 0.63 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.85 1.26 . . . . 0.0 108.728 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.19 167.46 16.18 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.764 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -136.99 170.04 16.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.342 1.057 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.0 p -52.63 -53.91 40.5 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.391 1.077 . . . . 0.0 109.689 173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -51.07 -57.29 9.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.647 1.579 . . . . 0.0 111.994 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -52.66 -51.09 61.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.642 0.656 . . . . 0.0 112.152 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.12 -49.11 77.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.738 0.815 . . . . 0.0 112.231 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.68 -41.57 73.91 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.195 1.398 . . . . 0.0 112.191 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 14.3 t -71.14 -52.72 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.857 2.063 . . . . 0.0 112.396 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -77.22 -31.19 55.0 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -174.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.34 70.44 67.93 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 124.593 1.157 . . . . 0.0 111.668 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.38 132.72 53.86 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.754 2.969 . . . . 0.0 113.557 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.5 mt -69.03 132.47 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.789 1.235 . . . . 0.0 108.927 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 123.201 0.6 . . . . 0.0 112.374 179.77 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 132.83 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 129.172 2.989 . . . . 0.0 109.276 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -131.1 163.61 27.28 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 47.45 -140.12 8.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.184 2.326 . . . . 0.0 116.404 174.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -55.84 -30.71 61.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.55 -31.34 62.06 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 118.278 -0.868 . . . . 0.0 112.064 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.57 -61.98 2.19 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.658 1.183 . . . . 0.0 107.831 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.7 -47.52 70.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.206 1.403 . . . . 0.0 111.301 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -54.3 -45.88 72.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.955 1.302 . . . . 0.0 111.23 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.15 65.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.43 1.092 . . . . 0.0 111.045 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.17 -43.38 82.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.061 0.944 . . . . 0.0 112.441 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.34 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.928 1.691 . . . . 0.0 115.107 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.18 -21.67 66.65 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.39 115.02 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.663 1.185 . . . . 0.0 109.604 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.83 1.252 . . . . 0.0 113.29 -179.875 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.748 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -142.29 134.3 13.42 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.439 1.896 . . . . 0.0 110.637 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -61.09 -44.94 21.47 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.269 2.646 . . . . 0.0 113.669 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.64 -40.7 95.91 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.131 1.332 . . . . 0.0 111.519 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.75 -36.14 73.87 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.155 -0.966 . . . . 0.0 110.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -46.11 89.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.454 1.102 . . . . 0.0 109.902 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -56.0 -48.38 76.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.261 1.424 . . . . 0.0 111.007 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -57.43 -44.22 84.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.389 1.076 . . . . 0.0 110.858 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.81 -49.26 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.086 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -51.49 -52.23 48.43 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.669 1.122 . . . . 0.0 111.023 176.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -52.56 -59.52 4.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.802 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -57.59 -38.82 75.54 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -55.4 34.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.24 1.416 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.31 -51.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.182 1.393 . . . . 0.0 112.169 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.1 mt -56.13 -46.9 79.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.34 0.973 . . . . 0.0 112.253 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.36 -46.57 89.65 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.679 1.192 . . . . 0.0 112.689 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.5 -53.53 57.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.578 1.151 . . . . 0.0 110.306 176.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -54.64 -50.67 67.59 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 110.56 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -60.23 1.86 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.713 1.605 . . . . 0.0 113.245 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.33 -42.84 99.34 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.34 -0.85 . . . . 0.0 112.341 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -56.87 -43.45 81.23 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.296 1.038 . . . . 0.0 111.494 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 129.013 2.925 . . . . 0.0 112.556 177.737 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.78 -47.98 70.22 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.416 1.486 . . . . 0.0 109.518 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -57.69 -38.23 74.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.591 1.556 . . . . 0.0 112.543 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -62.47 -52.91 61.65 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.665 0.786 . . . . 0.0 109.524 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -39.03 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.541 0.609 . . . . 0.0 111.525 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -62.04 -44.2 97.21 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.801 1.241 . . . . 0.0 112.054 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -60.77 -49.01 79.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.801 0.84 . . . . 0.0 110.066 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.3 t -53.42 -54.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.933 1.693 . . . . 0.0 109.902 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.49 -55.29 16.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.279 2.632 . . . . 0.0 112.315 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -55.06 -43.02 73.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.637 1.175 . . . . 0.0 111.975 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -68.08 -48.22 66.13 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.303 0.641 . . . . 0.0 110.711 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -48.86 7.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.569 2.748 . . . . 0.0 114.845 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -61.05 -48.77 80.22 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 112.244 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -69.81 -50.85 38.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.023 1.729 . . . . 0.0 112.323 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.72 134.47 54.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.69 1.996 . . . . 0.0 112.213 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -117.19 -5.6 11.35 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.62 1.568 . . . . 0.0 112.593 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.66 60.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.706 1.603 . . . . 0.0 112.916 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.16 -99.43 0.11 Allowed Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.116 1.341 . . . . 0.0 113.191 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.56 -40.49 75.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 111.813 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.94 -17.51 58.85 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.549 1.54 . . . . 0.0 114.735 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.6 134.97 52.17 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.397 0.998 . . . . 0.0 111.055 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.6 -35.0 79.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.97 124.49 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.457 1.503 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.04 -62.02 2.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.304 1.042 . . . . 0.0 112.233 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -47.76 -37.43 13.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.665 2.386 . . . . 0.0 114.307 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.2 t -55.51 -48.94 73.84 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.054 2.142 . . . . 0.0 111.44 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.99 66.09 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.288 -0.882 . . . . 0.0 111.249 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -60.41 3.31 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.148 1.379 . . . . 0.0 112.22 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 p -50.61 -42.27 55.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.659 1.984 . . . . 0.0 114.415 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -61.86 -49.98 74.08 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.195 -0.941 . . . . 0.0 110.989 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -54.44 39.19 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.607 1.963 . . . . 0.0 112.665 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.53 -41.36 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.82 -41.34 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.897 0.771 . . . . 0.0 111.209 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -51.69 -47.1 64.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.908 0.776 . . . . 0.0 110.14 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -56.51 -65.86 0.54 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.617 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -51.36 -43.14 61.76 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -61.11 -52.16 66.06 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.375 1.07 . . . . 0.0 112.27 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.63 -40.21 63.93 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.164 1.386 . . . . 0.0 114.148 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 40.1 t -55.14 123.5 13.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.748 1.619 . . . . 0.0 111.952 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -124.35 13.83 8.9 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.926 1.69 . . . . 0.0 111.97 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -66.96 122.62 18.13 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.086 1.755 . . . . 0.0 109.665 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -69.77 1.51 4.25 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -147.15 20.01 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.0 137.15 93.93 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 119.835 1.198 . . . . 0.0 108.79 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -54.51 -30.32 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.136 3.224 . . . . 0.0 116.533 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -51.72 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.382 0.992 . . . . 0.0 111.227 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.1 m -54.88 -52.58 62.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.234 1.814 . . . . 0.0 112.36 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.66 -61.09 4.67 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 117.049 -1.453 . . . . 0.0 113.085 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -56.67 -42.35 66.01 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.022 1.758 . . . . 0.0 112.316 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.84 -50.3 72.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 112.825 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttm . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.362 . . . . 0.0 111.312 177.48 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -143.51 127.67 9.38 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.582 1.953 . . . . 0.0 110.186 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -82.37 -179.14 4.43 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.649 2.899 . . . . 0.0 112.171 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -128.41 64.44 1.42 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.345 1.858 . . . . 0.0 108.128 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.65 108.62 2.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.546 1.538 . . . . 0.0 109.53 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 48.3 p -72.7 170.75 13.89 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.553 0.692 . . . . 0.0 111.24 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -51.49 -51.66 53.19 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.523 1.129 . . . . 0.0 109.645 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -52.89 -57.29 10.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.355 1.862 . . . . 0.0 111.567 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -49.43 -54.18 18.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.042 0.937 . . . . 0.0 111.861 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.72 -57.16 14.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.1 -44.16 78.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.099 1.36 . . . . 0.0 112.983 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.72 -54.29 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.021 1.729 . . . . 0.0 112.434 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.87 -33.78 57.83 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.75 74.99 68.84 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 124.714 1.206 . . . . 0.0 112.602 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.2 163.19 10.39 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.504 3.47 . . . . 0.0 112.969 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 14.8 mt -112.67 135.49 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.658 1.183 . . . . 0.0 110.788 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.775 0.83 . . . . 0.0 111.51 179.227 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 136.81 57.97 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.006 2.122 . . . . 0.0 109.544 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -124.16 158.38 32.47 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 41.81 -135.07 3.4 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 128.149 2.785 . . . . 0.0 117.639 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.92 -36.34 59.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.916 1.287 . . . . 0.0 113.954 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.54 -28.87 61.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.766 0.826 . . . . 0.0 112.233 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.51 -64.32 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.051 0.941 . . . . 0.0 108.648 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.81 -42.91 68.9 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.022 1.329 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.48 -50.55 72.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.885 1.274 . . . . 0.0 110.951 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.61 99.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.624 1.169 . . . . 0.0 112.044 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.98 -41.52 95.35 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.569 1.147 . . . . 0.0 112.528 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -60.03 -37.86 81.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -54.82 -13.41 1.05 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.1 -35.64 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.743 1.617 . . . . 0.0 112.137 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.113 1.365 . . . . 0.0 114.495 -177.748 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.374 0.131 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -143.97 138.37 14.99 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.624 1.57 . . . . 0.0 111.212 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.56 -40.67 63.76 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.977 2.451 . . . . 0.0 113.591 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.82 -40.08 91.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.689 1.131 . . . . 0.0 111.596 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.07 -38.02 78.44 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.536 -0.728 . . . . 0.0 110.375 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.66 -44.55 95.97 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.748 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.68 -49.96 69.39 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.642 1.11 . . . . 0.0 110.933 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.37 -45.94 87.26 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.39 1.476 . . . . 0.0 111.479 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.04 -51.31 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.729 1.212 . . . . 0.0 109.713 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -52.42 -49.33 64.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.524 1.13 . . . . 0.0 111.162 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -54.89 -53.88 49.72 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.725 1.21 . . . . 0.0 110.926 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -56.99 -44.11 82.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.197 0.999 . . . . 0.0 111.785 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.77 -54.98 37.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.982 1.713 . . . . 0.0 109.206 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.1 t -55.3 -55.95 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.173 1.389 . . . . 0.0 111.83 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.9 mt -58.54 -42.02 86.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.886 0.766 . . . . 0.0 112.938 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.96 -49.56 74.25 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.165 0.893 . . . . 0.0 111.701 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.22 -49.05 75.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.249 0.619 . . . . 0.0 110.317 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -54.21 -52.04 62.53 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.436 1.094 . . . . 0.0 111.115 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.93 -50.29 10.6 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.535 1.516 . . . . 0.0 114.007 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -65.05 -48.28 74.37 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.389 -0.819 . . . . 0.0 111.7 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -54.55 -46.12 73.58 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.779 1.231 . . . . 0.0 110.916 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 128.213 2.605 . . . . 0.0 111.44 177.542 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 43.2 t -61.77 -48.86 78.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.82 0.848 . . . . 0.0 109.187 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.36 -46.14 76.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.963 1.305 . . . . 0.0 110.208 173.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 m -54.55 -51.21 65.92 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.14 0.976 . . . . 0.0 110.496 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.7 mmt -60.58 -39.22 87.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.294 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 45.4 mttp -61.71 -42.0 98.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.489 1.495 . . . . 0.0 111.413 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.4 -47.62 85.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.571 0.748 . . . . 0.0 109.919 174.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.5 t -57.04 -48.62 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.485 1.514 . . . . 0.0 110.201 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.68 -51.4 60.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.154 2.182 . . . . 0.0 111.712 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -55.61 -54.14 47.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.265 1.026 . . . . 0.0 110.66 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -53.11 -51.06 63.12 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.128 0.971 . . . . 0.0 111.903 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.6 mtp -48.84 -43.49 38.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.89 1.676 . . . . 0.0 113.997 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -39.26 90.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.735 0.698 . . . . 0.0 112.625 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -74.97 -53.52 8.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.581 1.152 . . . . 0.0 112.018 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.4 144.91 56.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.051 1.74 . . . . 0.0 110.791 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -130.62 6.29 4.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.827 1.651 . . . . 0.0 112.239 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.19 -67.57 0.75 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.475 1.11 . . . . 0.0 112.449 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.02 -72.25 1.37 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.514 1.055 . . . . 0.0 112.869 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -59.48 -55.08 39.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.05 1.74 . . . . 0.0 111.309 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.65 -19.28 45.65 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.545 1.538 . . . . 0.0 114.659 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.34 127.95 33.75 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.866 0.841 . . . . 0.0 111.152 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -65.84 -30.54 71.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.12 1.368 . . . . 0.0 113.149 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.94 116.94 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.155 1.382 . . . . 0.0 110.82 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.01 -51.93 38.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.722 1.609 . . . . 0.0 112.062 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -61.09 -38.07 84.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 117.274 -1.346 . . . . 0.0 113.63 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.22 -54.83 42.39 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 120.829 1.65 . . . . 0.0 110.127 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.55 70.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.271 1.028 . . . . 0.0 112.393 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -69.07 -56.39 7.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.046 1.738 . . . . 0.0 114.135 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 p -50.6 -49.34 56.76 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.213 2.205 . . . . 0.0 113.646 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -55.61 -45.04 77.55 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.203 -0.936 . . . . 0.0 110.458 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -55.62 32.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.298 1.839 . . . . 0.0 112.35 176.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 pt -54.42 -43.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.173 0.897 . . . . 0.0 112.264 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.05 -39.65 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.431 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.4 m -53.13 -51.02 63.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.702 1.137 . . . . 0.0 109.934 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.36 -63.66 1.12 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 123.623 0.769 . . . . 0.0 110.07 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -51.53 -41.29 60.93 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.56 -53.59 39.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.381 0.672 . . . . 0.0 112.037 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.35 -34.98 77.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.894 1.278 . . . . 0.0 114.257 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.36 129.35 39.54 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.291 1.437 . . . . 0.0 112.942 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 p -126.63 2.75 6.81 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.523 2.329 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -57.55 124.69 19.88 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.231 1.812 . . . . 0.0 110.258 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.47 5.97 6.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.176 1.39 . . . . 0.0 114.205 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -148.28 19.92 1.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.469 1.508 . . . . 0.0 114.573 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.6 137.05 96.35 Favored Pre-proline 0 CA--C 1.552 1.053 0 CA-C-N 119.468 1.031 . . . . 0.0 108.311 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -59.5 -9.51 9.11 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.949 3.099 . . . . 0.0 116.106 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.78 -54.22 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 119.733 1.151 . . . . 0.0 110.36 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -56.13 -38.9 71.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.091 1.756 . . . . 0.0 112.878 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.91 -62.57 4.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-O 117.195 -1.383 . . . . 0.0 111.574 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -55.97 -40.49 84.68 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 122.081 1.779 . . . . 0.0 112.613 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.72 -46.55 88.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.966 -1.084 . . . . 0.0 112.701 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? . . . . . 0 N--CA 1.478 0.948 0 CA-C-N 119.839 1.199 . . . . 0.0 112.616 176.752 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.7 126.98 24.93 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.478 1.511 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -82.32 176.97 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.226 2.617 . . . . 0.0 112.95 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -118.55 63.03 0.77 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.533 1.533 . . . . 0.0 108.76 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.16 168.45 15.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.907 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.4 p -138.74 168.31 20.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.316 1.047 . . . . 0.0 110.5 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 10.9 p -53.64 -50.65 65.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.439 1.095 . . . . 0.0 109.461 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.09 -58.63 5.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.077 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.14 -50.7 66.35 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.667 0.667 . . . . 0.0 112.06 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.43 -48.67 80.76 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.081 0.952 . . . . 0.0 111.976 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.43 -48.76 76.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.217 1.407 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.55 -49.93 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.176 1.79 . . . . 0.0 112.083 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -74.12 -39.96 62.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.65 76.84 47.06 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.59 1.156 . . . . 0.0 111.993 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -55.4 136.27 72.94 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.033 3.155 . . . . 0.0 114.414 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 25.7 mt -71.11 137.67 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.128 1.771 . . . . 0.0 108.828 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 N--CA 1.475 0.787 0 CA-C-N 119.195 0.907 . . . . 0.0 110.622 176.843 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 126.87 15.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.341 2.256 . . . . 0.0 109.184 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -146.02 159.56 43.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.27 -147.11 49.74 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.107 1.813 . . . . 0.0 114.363 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -50.44 -38.03 41.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.569 1.148 . . . . 0.0 113.761 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.8 -33.44 56.03 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.708 1.203 . . . . 0.0 112.87 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 39.3 mt -54.81 -61.12 2.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.084 0.954 . . . . 0.0 109.129 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.3 -43.43 83.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.436 1.094 . . . . 0.0 111.346 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -56.61 -50.28 72.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.989 0.916 . . . . 0.0 110.934 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.9 93.32 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.836 1.255 . . . . 0.0 111.935 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.11 -41.96 80.98 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.54 1.136 . . . . 0.0 112.983 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.42 -38.04 73.71 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.79 -17.42 0.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.42 -38.78 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.091 1.356 . . . . 0.0 111.823 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -141.07 117.55 7.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.112 1.765 . . . . 0.0 110.908 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.2 -41.55 21.9 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.16 3.24 . . . . 0.0 114.392 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.48 -48.46 81.54 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.157 0.983 . . . . 0.0 111.397 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.76 -32.54 71.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.091 0.956 . . . . 0.0 111.605 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -62.63 -38.88 91.97 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.562 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.12 -48.6 79.7 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.675 1.125 . . . . 0.0 110.691 173.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -55.78 -50.91 69.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.064 1.345 . . . . 0.0 110.444 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.25 -51.36 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.437 1.895 . . . . 0.0 110.973 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -49.41 -51.67 33.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.473 1.509 . . . . 0.0 110.847 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -56.88 -58.34 8.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.277 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -50.05 -46.54 53.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.773 1.229 . . . . 0.0 113.157 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.6 -57.76 10.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.783 2.033 . . . . 0.0 109.935 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.02 -46.29 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 112.416 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.8 mt -58.86 -45.26 90.54 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.795 1.18 . . . . 0.0 111.935 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.39 -44.58 92.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.42 1.088 . . . . 0.0 111.39 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.61 -47.52 81.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.831 0.853 . . . . 0.0 110.241 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -53.46 -50.07 66.06 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.507 1.123 . . . . 0.0 110.778 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.41 -55.62 4.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.03 1.332 . . . . 0.0 112.546 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -65.12 -49.96 67.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.315 0.646 . . . . 0.0 112.342 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.28 -51.63 32.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.829 1.652 . . . . 0.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 128.569 2.748 . . . . 0.0 110.989 177.704 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.7 m80 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -51.28 -53.4 36.11 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.267 1.427 . . . . 0.0 110.372 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.86 -42.31 71.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.386 1.474 . . . . 0.0 112.048 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -59.9 -50.47 73.65 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 110.062 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.7 mmt -61.58 -37.12 82.68 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.527 -0.733 . . . . 0.0 112.347 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -59.37 -41.84 90.26 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.308 1.413 . . . . 0.0 111.231 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.37 -48.51 79.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.838 0.855 . . . . 0.0 110.31 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.65 -56.26 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.068 1.347 . . . . 0.0 109.845 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.87 -55.81 7.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.871 2.868 . . . . 0.0 111.865 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -52.25 -55.83 18.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.171 0.988 . . . . 0.0 111.038 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -55.35 -48.54 74.08 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.421 0.688 . . . . 0.0 111.318 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -45.97 30.62 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.15 2.18 . . . . 0.0 113.535 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -42.69 99.84 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.702 0.801 . . . . 0.0 112.857 178.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -72.83 -50.6 23.07 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.301 1.04 . . . . 0.0 112.273 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.14 140.04 58.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.211 1.804 . . . . 0.0 112.143 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -125.49 -6.03 7.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.989 1.716 . . . . 0.0 113.394 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.94 62.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.143 1.377 . . . . 0.0 112.147 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.83 -87.83 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.289 1.423 . . . . 0.0 113.759 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -55.83 -50.29 70.96 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 0.0 112.045 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.6 -17.57 59.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.976 1.711 . . . . 0.0 115.26 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.96 128.01 33.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.342 0.974 . . . . 0.0 110.804 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.1 -32.51 73.91 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.12 1.368 . . . . 0.0 113.432 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -67.13 116.98 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.819 1.248 . . . . 0.0 110.059 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.16 -56.38 9.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.338 1.455 . . . . 0.0 112.229 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -57.91 -44.1 86.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.241 -1.361 . . . . 0.0 113.492 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 54.1 t -54.86 -52.26 63.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.507 1.503 . . . . 0.0 110.55 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.73 -59.09 5.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.738 0.815 . . . . 0.0 110.912 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -58.99 -54.48 46.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.121 2.169 . . . . 0.0 116.035 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 p -48.97 -34.34 12.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.859 2.063 . . . . 0.0 115.1 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.08 -39.83 95.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.832 -1.167 . . . . 0.0 112.107 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -51.26 58.39 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.208 0.913 . . . . 0.0 111.783 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.4 pt -52.34 -42.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.095 0.861 . . . . 0.0 112.17 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.45 -45.02 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.836 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.2 m -51.4 -50.8 58.92 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.884 0.766 . . . . 0.0 110.407 174.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.59 -66.9 0.32 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.471 1.508 . . . . 0.0 110.947 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -52.51 -44.96 66.05 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.825 1.193 . . . . 0.0 113.946 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.87 -45.83 82.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.787 1.235 . . . . 0.0 112.364 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -79.99 -41.09 26.57 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.4 t -58.94 138.72 57.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.583 1.553 . . . . 0.0 113.419 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -134.49 10.82 3.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.13 2.172 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -61.7 127.56 32.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.358 1.463 . . . . 0.0 111.903 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -62.06 -15.49 45.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.147 1.779 . . . . 0.0 115.349 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -142.96 28.46 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.17 138.69 97.5 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.37 -3.88 5.84 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.92 3.08 . . . . 0.0 116.566 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.85 -47.82 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.601 1.091 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 m -56.07 -49.09 74.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.075 1.75 . . . . 0.0 112.173 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.35 -61.45 4.52 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.246 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -57.74 -42.86 55.23 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.387 2.058 . . . . 0.0 112.633 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.0 mt -57.03 -51.48 69.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.236 1.015 . . . . 0.0 111.692 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 125.814 1.645 . . . . 0.0 111.537 177.313 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.124 0 N-CA-C 107.725 -2.15 . . . . 0.0 107.725 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 mt -133.89 140.54 36.74 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 127.435 2.294 . . . . 0.0 108.793 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -82.18 173.19 11.09 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.898 2.399 . . . . 0.0 113.289 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.17 65.41 0.73 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.54 1.536 . . . . 0.0 108.108 172.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.61 170.81 11.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.381 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.9 p -137.26 170.69 15.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.185 1.394 . . . . 0.0 109.347 176.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.7 p -56.71 -50.14 73.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.646 0.778 . . . . 0.0 109.714 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -51.95 -55.23 21.6 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.073 1.749 . . . . 0.0 111.938 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -52.15 -50.62 61.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.69 0.796 . . . . 0.0 111.798 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 76.2 m -61.02 -51.08 70.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.538 1.135 . . . . 0.0 112.203 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.22 -48.79 70.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.686 1.194 . . . . 0.0 111.805 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.42 -53.99 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.579 1.952 . . . . 0.0 112.701 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -74.81 -36.31 62.46 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.43 76.63 78.53 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.634 1.174 . . . . 0.0 111.682 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.67 135.57 71.22 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.71 2.94 . . . . 0.0 112.521 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.43 125.66 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.417 1.087 . . . . 0.0 108.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 114.387 -176.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 122.004 0.907 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.73 143.23 50.1 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.254 2.622 . . . . 0.0 108.447 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.989 -1.069 . . . . 0.0 113.449 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.78 -147.15 33.77 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.298 1.904 . . . . 0.0 115.564 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.42 -30.76 61.06 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.52 -29.04 61.42 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.333 0.969 . . . . 0.0 111.997 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.02 -64.13 1.06 Allowed 'General case' 0 C--N 1.344 0.355 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 mt -54.11 -45.85 71.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 111.521 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -54.05 -48.06 70.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.02 175.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.29 89.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.132 0.973 . . . . 0.0 111.865 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.35 -45.62 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.41 1.004 . . . . 0.0 112.585 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.51 -24.39 65.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.86 -24.32 61.96 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -64.62 118.73 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.388 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -140.99 117.36 7.54 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.367 1.867 . . . . 0.0 110.741 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -46.07 -44.28 19.41 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.075 3.183 . . . . 0.0 114.379 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.33 -43.9 92.67 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.538 0.735 . . . . 0.0 112.159 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -60.47 -36.98 79.56 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.439 -0.788 . . . . 0.0 110.979 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.06 -44.76 96.89 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.242 0.928 . . . . 0.0 110.979 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -54.42 -46.19 73.15 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.277 1.031 . . . . 0.0 111.173 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.26 -49.86 70.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.015 1.326 . . . . 0.0 111.061 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.97 -48.39 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.378 1.471 . . . . 0.0 110.385 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -51.51 -52.88 43.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.102 1.361 . . . . 0.0 111.087 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.66 -56.08 20.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.031 0.932 . . . . 0.0 110.698 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -57.33 -40.16 77.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.05 -56.31 22.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.207 1.403 . . . . 0.0 108.925 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.34 -50.74 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.339 1.455 . . . . 0.0 112.48 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.85 -45.34 86.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.309 0.959 . . . . 0.0 112.346 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.28 -45.75 92.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.394 1.078 . . . . 0.0 112.176 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.01 -50.17 74.77 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.157 0.983 . . . . 0.0 110.179 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.15 -51.65 67.22 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.994 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.94 -50.9 5.76 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.535 1.934 . . . . 0.0 113.641 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -65.87 -45.48 81.98 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.854 -1.154 . . . . 0.0 112.16 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.95 -42.76 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.645 0.657 . . . . 0.0 111.608 173.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 127.888 2.475 . . . . 0.0 111.166 178.116 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 t -52.71 -42.76 65.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.651 1.98 . . . . 0.0 111.938 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -52.34 -49.62 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.356 1.463 . . . . 0.0 110.795 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m -57.45 -56.18 25.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.65 1.18 . . . . 0.0 110.308 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -42.09 77.8 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.75 0.704 . . . . 0.0 112.732 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.4 mtmm -62.89 -44.55 95.81 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.805 1.184 . . . . 0.0 112.141 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.21 -47.43 86.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.569 0.748 . . . . 0.0 110.376 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.2 t -54.49 -57.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.317 1.847 . . . . 0.0 109.754 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.57 -54.08 12.76 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.007 2.523 . . . . 0.0 112.235 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.6 -42.12 70.75 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.726 1.211 . . . . 0.0 112.477 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -71.44 -48.37 49.93 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.612 -0.68 . . . . 0.0 110.494 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.2 ttm -43.56 -44.51 6.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.284 2.634 . . . . 0.0 114.64 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -63.12 -50.28 71.1 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.617 1.167 . . . . 0.0 111.99 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.93 -33.69 72.49 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.072 1.749 . . . . 0.0 112.969 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.13 140.45 52.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.798 2.039 . . . . 0.0 112.533 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -131.43 -9.57 3.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.714 2.006 . . . . 0.0 113.107 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.6 74.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.681 1.192 . . . . 0.0 112.53 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.39 -110.87 3.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.636 1.112 . . . . 0.0 112.756 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.21 -38.41 90.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.509 1.124 . . . . 0.0 111.392 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.17 -14.53 62.68 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.306 1.842 . . . . 0.0 115.553 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.85 124.99 22.08 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 0.0 110.767 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -64.49 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.893 1.277 . . . . 0.0 113.29 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.82 113.81 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 109.832 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.82 -56.55 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.267 1.827 . . . . 0.0 112.662 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -57.87 -46.63 84.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.728 1.611 . . . . 0.0 113.221 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.9 t -57.67 -58.02 10.17 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.453 1.501 . . . . 0.0 111.245 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.31 -47.88 62.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.495 1.118 . . . . 0.0 111.178 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -65.72 -53.91 34.37 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.895 2.078 . . . . 0.0 114.897 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -51.31 -31.27 21.01 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.492 1.917 . . . . 0.0 115.015 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -60.45 -42.77 96.82 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.045 -1.034 . . . . 0.0 112.093 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -51.93 66.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.784 1.174 . . . . 0.0 112.81 177.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.44 -43.39 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.068 0.849 . . . . 0.0 112.553 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.56 -42.26 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.277 0.631 . . . . 0.0 111.133 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -52.59 -47.74 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.535 0.734 . . . . 0.0 110.723 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.29 -62.56 1.68 Allowed 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.455 1.102 . . . . 0.0 110.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -51.9 -40.64 61.02 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -63.72 -54.76 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 111.658 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 -45.07 80.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.544 1.538 . . . . 0.0 113.981 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.8 t -60.38 133.1 55.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.487 1.915 . . . . 0.0 113.447 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 p -135.14 16.16 3.49 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.409 2.284 . . . . 0.0 111.884 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -62.05 134.76 57.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 111.05 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -57.1 -31.27 65.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.631 1.572 . . . . 0.0 114.765 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -143.74 40.45 1.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.84 137.23 97.04 Favored Pre-proline 0 CA--C 1.558 1.254 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.5 -16.73 37.35 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.14 3.227 . . . . 0.0 117.405 -174.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.44 -48.4 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.694 1.134 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 m -54.67 -53.64 52.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.729 1.612 . . . . 0.0 112.031 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.1 -60.44 6.77 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.697 -1.621 . . . . 0.0 113.183 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.89 -43.04 61.65 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.277 1.849 . . . . 0.0 112.837 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.82 -54.0 51.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.84 0.856 . . . . 0.0 111.873 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttm . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 111.448 177.667 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.241 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 12.4 mt -135.98 120.36 12.98 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 125.829 1.651 . . . . 0.0 108.795 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -81.41 175.73 9.33 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.192 2.595 . . . . 0.0 113.128 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -123.45 67.51 1.01 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.26 1.824 . . . . 0.0 107.73 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.16 169.91 9.48 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.297 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 58.0 p -136.54 164.41 28.24 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.141 0.976 . . . . 0.0 109.984 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -54.48 -49.64 69.62 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.388 0.675 . . . . 0.0 109.98 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.89 -56.04 18.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.489 1.516 . . . . 0.0 111.815 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -53.52 -49.59 67.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.503 0.721 . . . . 0.0 111.653 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -50.47 73.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.07 0.948 . . . . 0.0 112.054 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.93 -37.71 71.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.926 1.291 . . . . 0.0 112.792 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.67 -52.36 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.567 1.947 . . . . 0.0 111.978 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.99 -40.27 63.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.74 1.216 . . . . 0.0 114.263 -175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.28 72.5 81.08 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.496 1.118 . . . . 0.0 111.399 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.52 129.66 27.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.246 3.297 . . . . 0.0 114.476 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 27.7 mt -69.77 124.14 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 CA--C 1.538 0.506 0 CA-C-O 121.573 0.701 . . . . 0.0 112.863 -175.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 117.3 4.56 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -143.58 167.03 23.2 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -173.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.48 -146.14 46.82 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.472 1.51 . . . . 0.0 114.291 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.35 -34.88 59.3 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.156 0.978 . . . . 0.0 112.881 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -54.04 -34.09 59.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.815 1.246 . . . . 0.0 112.165 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.92 -64.16 0.95 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.174 0.99 . . . . 0.0 108.851 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.67 -43.36 68.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.955 1.302 . . . . 0.0 111.526 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -57.01 -51.39 69.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.668 1.187 . . . . 0.0 110.98 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.53 72.95 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.896 1.278 . . . . 0.0 111.837 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 73.3 mt -55.6 -46.71 77.26 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.7 1.2 . . . . 0.0 111.661 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -17.65 64.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.2 -24.1 67.02 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.663 1.119 . . . . 0.0 113.325 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.63 123.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.252 0 O-C-N 121.031 -1.043 . . . . 0.0 113.1 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.516 0.198 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -145.85 138.16 13.58 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.502 1.521 . . . . 0.0 111.992 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -62.93 -37.16 55.93 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.645 2.897 . . . . 0.0 114.043 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.93 -53.14 58.67 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.2 -39.47 63.73 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.777 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -59.32 -51.5 69.69 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 110.377 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -60.3 -39.49 87.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.117 0.967 . . . . 0.0 112.355 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.87 -47.32 86.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.926 1.29 . . . . 0.0 110.281 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.13 -51.35 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.459 1.503 . . . . 0.0 109.833 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.55 -50.73 52.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.164 1.386 . . . . 0.0 111.358 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -56.69 -58.59 7.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.671 1.188 . . . . 0.0 110.527 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -50.4 -44.04 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.94 1.296 . . . . 0.0 112.466 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.52 -58.25 8.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.021 1.729 . . . . 0.0 110.225 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.88 -42.94 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.44 1.096 . . . . 0.0 112.422 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.2 mt -58.11 -48.81 79.06 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.669 1.122 . . . . 0.0 111.338 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.8 -45.17 90.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.529 1.132 . . . . 0.0 111.578 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.77 -49.2 78.66 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.096 0.958 . . . . 0.0 110.346 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -54.8 -50.28 68.93 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.436 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.33 -49.68 6.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.946 1.298 . . . . 0.0 113.475 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -70.22 -49.47 49.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.609 0.764 . . . . 0.0 111.914 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -52.35 -43.16 64.47 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.034 1.334 . . . . 0.0 111.973 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 129.322 3.049 . . . . 0.0 112.06 178.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.5 m170 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.6 t -45.72 -54.34 8.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 112.353 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -52.23 -43.84 64.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.896 1.278 . . . . 0.0 112.457 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -60.54 -48.66 80.78 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.12 0.968 . . . . 0.0 109.853 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.29 -36.97 81.52 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.476 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -59.82 -41.92 92.38 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 120.874 1.67 . . . . 0.0 111.338 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.467 0.707 . . . . 0.0 110.144 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -57.65 -48.69 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.073 1.349 . . . . 0.0 110.273 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.02 -48.35 67.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.791 2.436 . . . . 0.0 112.48 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -59.2 -48.07 82.97 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.195 0.998 . . . . 0.0 111.118 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.99 -52.52 62.65 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.256 0.622 . . . . 0.0 111.658 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.3 mtp -39.36 -54.57 1.86 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.669 2.388 . . . . 0.0 114.591 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.1 p -60.21 -46.16 90.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.388 1.075 . . . . 0.0 113.114 -178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -72.96 -43.8 61.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.342 1.457 . . . . 0.0 112.698 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.5 t -61.54 135.69 57.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.384 1.874 . . . . 0.0 112.073 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -118.58 -6.8 10.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.808 1.643 . . . . 0.0 112.995 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.05 76.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.18 1.392 . . . . 0.0 112.668 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.55 -100.13 0.1 Allowed Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.496 1.522 . . . . 0.0 113.34 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -56.1 -39.79 72.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.651 1.58 . . . . 0.0 111.601 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.22 54.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.67 1.588 . . . . 0.0 115.003 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.37 127.29 32.42 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.657 1.117 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -66.37 -29.0 69.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 113.647 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.35 122.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.147 1.379 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.46 2.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.408 1.883 . . . . 0.0 113.006 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -58.53 -41.54 85.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.969 1.307 . . . . 0.0 113.173 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.6 t -55.91 -52.22 64.88 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.234 1.414 . . . . 0.0 112.35 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.69 85.2 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.066 0.946 . . . . 0.0 111.648 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.1 m -64.33 -52.43 58.47 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.188 1.795 . . . . 0.0 114.083 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -53.07 -38.3 62.39 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.464 2.305 . . . . 0.0 114.412 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -63.51 -50.22 70.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.337 173.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.51 15.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.606 1.962 . . . . 0.0 113.102 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -51.99 -46.27 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 118.853 0.751 . . . . 0.0 112.557 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.3 mm -69.96 -37.89 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.622 0.769 . . . . 0.0 111.63 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -53.27 -48.58 68.18 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.455 1.102 . . . . 0.0 110.041 173.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.96 -63.32 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.172 0.989 . . . . 0.0 110.466 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -54.2 -41.72 68.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -58.99 -43.39 91.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.385 -0.822 . . . . 0.0 111.81 177.4 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -76.86 -50.22 13.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.191 1.397 . . . . 0.0 113.634 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.0 130.53 46.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.665 1.586 . . . . 0.0 114.188 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -135.27 16.09 3.46 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.288 2.235 . . . . 0.0 111.181 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 57.6 ttt180 -62.32 132.48 52.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.233 1.813 . . . . 0.0 111.011 178.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -12.79 8.21 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.418 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 8.9 p-10 -150.73 24.66 0.77 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 138.04 97.12 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 119.762 1.164 . . . . 0.0 108.513 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -60.93 -6.84 6.67 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.25 3.3 . . . . 0.0 117.003 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.03 -51.77 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.857 1.208 . . . . 0.0 110.766 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.35 -50.01 65.93 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.48 1.912 . . . . 0.0 112.633 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.8 -61.43 7.37 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 117.151 -1.404 . . . . 0.0 112.026 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -57.71 -40.96 75.29 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.984 1.79 . . . . 0.0 112.937 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -57.11 -45.59 83.32 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.22 1.373 . . . . 0.0 112.154 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 N--CA 1.472 0.651 0 C-N-CA 125.112 1.365 . . . . 0.0 111.95 178.098 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.292 0 N-CA-C 109.216 -1.553 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.8 mt -134.97 120.58 14.19 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.077 1.751 . . . . 0.0 107.207 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -81.29 174.53 10.59 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 122.966 2.444 . . . . 0.0 114.03 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -117.75 62.82 0.75 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.714 1.606 . . . . 0.0 108.566 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.76 170.42 12.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.438 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 77.0 p -140.76 163.64 32.36 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.873 1.269 . . . . 0.0 109.446 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 80.0 p -55.32 -41.52 72.53 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.885 -0.509 . . . . 0.0 110.647 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -55.83 -56.84 15.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.129 1.372 . . . . 0.0 111.511 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.1 -49.52 68.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.675 0.79 . . . . 0.0 111.423 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.75 -49.67 76.83 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.605 1.162 . . . . 0.0 111.928 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -56.01 -48.35 76.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.605 1.562 . . . . 0.0 111.369 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.65 -51.21 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.334 1.854 . . . . 0.0 112.369 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.61 -40.17 64.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.499 1.12 . . . . 0.0 113.786 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.29 75.66 52.08 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.579 1.152 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.54 136.76 75.48 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.786 2.99 . . . . 0.0 112.67 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.22 129.79 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.931 1.293 . . . . 0.0 109.164 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 125.261 1.424 . . . . 0.0 113.301 -176.636 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.57 135.46 51.54 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 129.393 3.077 . . . . 0.0 106.972 171.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -141.16 168.67 19.22 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.56 -142.17 40.85 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 127.251 2.358 . . . . 0.0 115.814 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.57 -33.16 59.78 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 117.994 0.897 . . . . 0.0 113.084 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -55.5 -33.17 63.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.98 0.912 . . . . 0.0 112.0 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.18 -57.27 13.32 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.56 -46.43 80.72 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.49 1.116 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.2 -48.61 73.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.201 1.0 . . . . 0.0 110.993 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.11 83.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.01 1.324 . . . . 0.0 111.584 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.43 -45.15 92.37 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 111.967 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.5 -23.27 65.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.48 -17.74 47.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.69 118.05 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.355 1.062 . . . . 0.0 113.026 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.601 0.239 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.13 125.73 91.84 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.6 1.16 . . . . 0.0 113.012 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.0 -49.01 18.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.083 3.189 . . . . 0.0 114.948 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.36 -45.47 93.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.816 0.846 . . . . 0.0 111.487 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.28 -38.82 66.29 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.029 0.831 . . . . 0.0 111.618 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -57.91 -47.61 82.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.373 0.988 . . . . 0.0 110.812 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -56.06 -48.08 76.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.881 1.272 . . . . 0.0 111.355 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.52 -42.28 96.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.094 1.358 . . . . 0.0 111.594 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.31 -52.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.803 1.241 . . . . 0.0 109.324 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -48.35 -49.5 34.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.814 1.645 . . . . 0.0 111.133 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -55.12 -60.87 2.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.445 1.498 . . . . 0.0 110.694 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -53.81 -40.36 66.3 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.416 1.007 . . . . 0.0 112.315 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.84 -58.49 7.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.881 1.672 . . . . 0.0 109.871 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.65 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.716 1.206 . . . . 0.0 112.054 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.48 -48.41 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.28 0.946 . . . . 0.0 112.085 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.36 -43.3 92.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.421 1.489 . . . . 0.0 111.969 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -63.05 -49.82 73.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.207 1.003 . . . . 0.0 110.483 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.11 -50.39 66.99 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.901 0.88 . . . . 0.0 110.178 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.73 7.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.56 1.544 . . . . 0.0 112.744 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.05 -44.73 83.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.58 -0.7 . . . . 0.0 112.76 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -53.72 -52.0 61.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.162 0.985 . . . . 0.0 110.703 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 128.459 2.703 . . . . 0.0 110.548 177.047 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.3 m80 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.84 -54.54 32.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.583 1.553 . . . . 0.0 110.794 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.248 -0.908 . . . . 0.0 112.796 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -60.7 -50.62 72.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.697 0.681 . . . . 0.0 109.192 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mmt -59.77 -39.29 84.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.335 -0.841 . . . . 0.0 112.096 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -60.4 -45.16 94.57 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.67 1.577 . . . . 0.0 111.494 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -59.19 -47.73 84.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.539 0.736 . . . . 0.0 110.212 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.86 -48.51 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.459 1.503 . . . . 0.0 110.913 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.19 -50.16 67.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.072 2.549 . . . . 0.0 111.853 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -57.57 -42.09 82.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.465 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.61 -51.72 46.87 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.788 0.835 . . . . 0.0 111.124 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.8 mtp -42.91 -49.48 5.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.579 2.352 . . . . 0.0 114.658 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -59.87 -46.37 89.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.904 0.881 . . . . 0.0 112.588 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -74.25 -45.94 44.71 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.981 1.712 . . . . 0.0 113.293 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' CB ' HH22 ' A' ' 68' ' ' ARG . 43.3 t -60.99 133.38 56.04 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.384 1.874 . . . . 0.0 112.895 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -113.9 -8.4 13.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.803 1.641 . . . . 0.0 113.565 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.06 92.36 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.099 1.36 . . . . 0.0 112.941 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.63 -99.83 0.1 OUTLIER Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.766 1.65 . . . . 0.0 113.866 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -56.35 -43.02 78.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.636 1.175 . . . . 0.0 111.565 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.02 -18.67 60.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.884 . . . . 0.0 115.475 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.85 126.7 29.33 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.563 1.074 . . . . 0.0 110.777 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -30.35 71.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.209 1.403 . . . . 0.0 113.84 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.38 117.62 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.897 1.279 . . . . 0.0 110.637 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -54.07 17.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.674 1.59 . . . . 0.0 112.838 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -58.94 -46.15 88.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.282 1.433 . . . . 0.0 112.502 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.39 -48.31 81.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.926 1.29 . . . . 0.0 111.433 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.01 -57.03 14.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.291 1.036 . . . . 0.0 111.406 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.4 p -62.38 -50.74 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.432 1.893 . . . . 0.0 115.195 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.0 p -45.64 -40.45 9.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.896 2.078 . . . . 0.0 115.459 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.403 HH22 ' CB ' ' A' ' 53' ' ' CYS . 34.5 mtt180 -61.6 -33.7 74.36 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.865 -1.147 . . . . 0.0 112.809 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -49.7 36.66 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.426 1.012 . . . . 0.0 111.995 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 pt -52.41 -47.07 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.063 0.847 . . . . 0.0 112.165 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.6 -36.93 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.146 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -54.53 -53.46 54.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.974 0.807 . . . . 0.0 110.089 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.96 -59.99 4.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.681 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -63.52 -46.28 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.61 -0.681 . . . . 0.0 112.374 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -72.14 -40.36 68.11 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.1 t -60.78 130.08 44.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.1 1.76 . . . . 0.0 113.71 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.9 p -134.15 18.87 3.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.413 2.285 . . . . 0.0 111.734 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -60.93 146.72 45.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.235 2.214 . . . . 0.0 112.599 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -53.47 -51.26 63.3 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.165 1.386 . . . . 0.0 111.113 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -145.83 118.37 8.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.493 1.517 . . . . 0.0 111.41 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.41 142.5 38.93 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 128.339 2.656 . . . . 0.0 105.697 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.22 -13.47 16.23 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 117.484 -173.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.48 -49.52 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.889 1.222 . . . . 0.0 111.038 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.8 m -53.52 -51.35 63.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.714 2.006 . . . . 0.0 113.05 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.88 -59.95 10.96 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.095 1.358 . . . . 0.0 112.96 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.05 -33.41 98.61 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.976 1.784 . . . . 0.0 113.246 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.52 -47.25 76.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.358 -0.839 . . . . 0.0 111.305 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.258 1.423 . . . . 0.0 111.131 176.88 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 112.358 -0.297 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 mt -90.42 137.98 27.19 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.493 1.117 . . . . 0.0 111.217 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -83.27 177.77 6.28 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.679 2.92 . . . . 0.0 113.298 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -114.03 60.46 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.161 1.384 . . . . 0.0 108.733 172.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.3 mt -68.81 158.08 35.13 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.536 1.135 . . . . 0.0 110.379 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.8 p -132.87 167.77 19.6 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.685 1.194 . . . . 0.0 111.057 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.1 p -54.76 -51.2 66.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.4 1.08 . . . . 0.0 110.429 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -51.67 -56.74 11.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.611 1.564 . . . . 0.0 111.844 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -52.88 -51.15 62.19 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.811 0.844 . . . . 0.0 111.975 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.31 -49.75 76.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.456 1.102 . . . . 0.0 112.284 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.6 -46.16 81.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.419 1.088 . . . . 0.0 111.694 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.95 -50.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.207 1.803 . . . . 0.0 112.23 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -71.61 -44.11 65.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.907 1.283 . . . . 0.0 114.19 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -132.18 75.87 74.01 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.843 1.257 . . . . 0.0 111.969 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.22 138.97 72.72 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.89 3.06 . . . . 0.0 112.777 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.1 mt -78.46 125.53 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.041 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.453 0.644 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 124.7 51.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.105 2.562 . . . . 0.0 106.729 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -146.3 162.07 38.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.433 1.093 . . . . 0.0 113.875 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.09 -146.26 48.86 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.987 1.756 . . . . 0.0 114.514 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.72 -35.99 56.71 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.104 0.962 . . . . 0.0 113.409 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.14 -35.87 49.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.859 1.264 . . . . 0.0 112.122 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.69 -62.48 1.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.306 1.042 . . . . 0.0 108.805 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.41 -45.35 80.69 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.694 1.198 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -52.79 -50.26 63.95 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.394 1.078 . . . . 0.0 111.101 175.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.1 -49.53 74.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.568 1.147 . . . . 0.0 111.968 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.67 -44.37 85.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.381 0.991 . . . . 0.0 112.611 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.6 -33.58 72.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.561 . . . . 0.0 114.708 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.85 -16.0 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -60.73 -36.92 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.35 1.46 . . . . 0.0 111.804 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.197 1.399 . . . . 0.0 114.421 -175.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.89 134.91 12.44 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.857 1.263 . . . . 0.0 111.797 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.18 -49.15 14.76 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.851 3.034 . . . . 0.0 114.513 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.27 -40.7 98.12 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.236 -0.915 . . . . 0.0 112.224 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.67 -38.75 82.32 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 0.772 . . . . 0.0 110.367 173.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -62.11 -46.3 89.66 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.637 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -53.69 -48.35 69.59 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 120.014 1.279 . . . . 0.0 111.063 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.83 -51.52 69.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.104 1.362 . . . . 0.0 111.122 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -54.73 -51.27 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.909 1.284 . . . . 0.0 110.101 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -52.05 -51.96 54.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.587 . . . . 0.0 111.555 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -53.24 -54.62 33.47 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 110.756 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.94 -39.04 87.97 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.002 0.921 . . . . 0.0 112.897 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.48 -54.31 45.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.799 1.64 . . . . 0.0 109.017 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.17 -53.91 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.636 1.174 . . . . 0.0 111.248 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -56.22 -46.22 79.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.64 -47.96 83.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.291 1.036 . . . . 0.0 112.498 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.81 -52.11 66.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.124 0.97 . . . . 0.0 110.809 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -54.6 -54.29 43.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.079 0.952 . . . . 0.0 110.613 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.0 -57.37 2.02 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.916 2.087 . . . . 0.0 114.524 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -69.85 -40.96 75.48 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.68 1.127 . . . . 0.0 113.201 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.76 -47.51 76.87 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.351 0.978 . . . . 0.0 110.263 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.553 1.095 0 C-N-CA 128.456 2.702 . . . . 0.0 111.357 174.223 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.8 m170 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.16 -49.35 66.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.659 1.584 . . . . 0.0 111.201 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.76 -49.77 61.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.733 1.613 . . . . 0.0 110.826 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -59.06 -52.72 64.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.456 1.102 . . . . 0.0 110.987 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -38.38 75.26 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.422 1.01 . . . . 0.0 112.039 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -63.12 -40.77 98.57 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.327 1.421 . . . . 0.0 111.706 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.11 -47.44 82.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.879 0.871 . . . . 0.0 110.227 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.17 -50.11 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.988 1.715 . . . . 0.0 110.146 175.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.29 -56.92 12.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.797 2.039 . . . . 0.0 110.829 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -51.6 -45.46 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.891 1.276 . . . . 0.0 111.897 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.89 -54.45 38.53 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.074 0.55 . . . . 0.0 111.329 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.262 14.4 ptt? -59.22 -25.05 63.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 p -70.88 -39.45 72.84 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.416 1.462 . . . . 0.0 111.207 174.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -73.3 -55.96 5.71 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.583 1.553 . . . . 0.0 111.288 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.52 146.57 51.38 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.253 1.421 . . . . 0.0 110.65 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -130.2 -2.33 4.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.322 1.449 . . . . 0.0 113.492 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.32 -63.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.343 1.057 . . . . 0.0 111.774 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.38 -72.88 0.45 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.203 1.382 . . . . 0.0 113.633 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -59.13 -53.4 58.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.208 1.803 . . . . 0.0 110.691 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.35 -19.95 41.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.538 1.535 . . . . 0.0 114.355 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -61.21 122.88 16.16 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.047 0.839 . . . . 0.0 110.187 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.19 -24.41 65.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.785 1.234 . . . . 0.0 113.269 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.78 115.19 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.11 1.364 . . . . 0.0 110.042 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.07 -51.89 22.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.014 1.726 . . . . 0.0 112.324 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -60.1 -44.56 94.73 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.335 1.454 . . . . 0.0 113.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.4 t -55.84 -55.85 27.6 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.262 1.392 . . . . 0.0 110.269 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.34 -46.2 65.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.101 1.36 . . . . 0.0 112.553 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -69.53 -58.86 3.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.818 1.647 . . . . 0.0 114.106 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 p -49.47 -49.02 47.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.023 2.129 . . . . 0.0 113.29 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -51.53 -51.82 52.16 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.439 -0.788 . . . . 0.0 110.715 174.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -55.18 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.299 1.839 . . . . 0.0 112.597 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -55.79 -43.63 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.007 0.822 . . . . 0.0 112.842 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.5 mm -69.49 -40.59 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.794 0.725 . . . . 0.0 111.549 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -54.0 -50.12 67.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.334 1.053 . . . . 0.0 109.859 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -58.34 -60.79 3.22 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.753 0.821 . . . . 0.0 109.806 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -50.95 -44.48 60.45 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -65.36 -50.5 65.32 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.938 0.79 . . . . 0.0 112.167 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.23 -45.13 89.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.382 1.073 . . . . 0.0 113.226 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.57 125.22 23.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.28 1.432 . . . . 0.0 112.607 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 p -133.3 20.85 4.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.484 2.314 . . . . 0.0 110.68 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.3 ttm-85 -65.04 136.79 57.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.654 2.382 . . . . 0.0 110.777 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -70.84 -9.46 57.63 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -148.33 27.81 0.92 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.42 136.29 96.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 CA-C-N 120.165 1.348 . . . . 0.0 107.771 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -60.7 -7.02 6.61 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.042 3.161 . . . . 0.0 116.571 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.29 -52.67 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.497 1.044 . . . . 0.0 110.685 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.54 -47.19 73.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.985 1.714 . . . . 0.0 112.393 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.23 -62.29 5.52 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -58.55 -38.43 89.79 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 121.947 1.731 . . . . 0.0 113.611 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.95 -40.27 92.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.125 -0.985 . . . . 0.0 112.002 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 124.523 1.129 . . . . 0.0 109.266 173.716 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -98.65 115.86 65.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.039 0.936 . . . . 0.0 108.593 173.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -80.12 173.77 12.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.189 2.593 . . . . 0.0 113.055 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.02 66.01 0.67 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.042 1.337 . . . . 0.0 108.658 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.9 169.75 12.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.377 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 62.4 p -139.47 169.01 18.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.147 0.979 . . . . 0.0 110.577 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 6.4 p -53.59 -52.79 58.65 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 108.743 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -50.55 -57.95 6.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.758 1.623 . . . . 0.0 112.325 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.93 -50.73 65.79 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.052 0.842 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.52 -48.53 80.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.214 1.006 . . . . 0.0 111.895 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.6 -47.57 76.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.598 1.559 . . . . 0.0 111.547 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.2 -50.81 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.306 1.843 . . . . 0.0 112.193 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -73.74 -40.69 63.34 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.0 76.6 39.22 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.983 1.313 . . . . 0.0 111.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.31 135.92 72.68 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.787 2.991 . . . . 0.0 113.29 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.0 mt -64.27 131.01 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.621 1.169 . . . . 0.0 108.998 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.348 0.594 . . . . 0.0 111.291 178.593 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 122.075 0.94 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 131.58 48.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.495 2.718 . . . . 0.0 107.476 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.5 161.33 41.86 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.29 -146.12 48.45 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.849 1.69 . . . . 0.0 114.489 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.53 -31.12 63.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.525 -0.985 . . . . 0.0 113.392 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.06 -34.89 58.58 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.221 1.008 . . . . 0.0 111.839 174.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 32.4 mt -57.02 -61.0 2.76 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -55.2 -43.32 74.32 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.346 1.458 . . . . 0.0 112.215 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -57.54 -48.43 79.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.603 1.161 . . . . 0.0 110.457 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.19 95.72 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.527 1.131 . . . . 0.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.19 -40.47 94.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.771 1.228 . . . . 0.0 113.226 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.6 -40.01 78.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.688 1.195 . . . . 0.0 113.713 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -52.72 -17.26 1.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.61 -37.57 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.575 1.55 . . . . 0.0 111.843 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.643 0.259 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.84 138.71 16.24 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.005 1.722 . . . . 0.0 111.541 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -62.89 -29.38 76.2 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.295 2.663 . . . . 0.0 114.396 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.8 -41.5 74.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.936 1.244 . . . . 0.0 110.534 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.13 -34.11 65.79 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.0 0.818 . . . . 0.0 111.66 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -57.1 -46.44 82.58 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.524 1.056 . . . . 0.0 110.765 173.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -55.82 -51.31 67.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.932 1.293 . . . . 0.0 110.839 174.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -54.59 -52.45 62.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.71 1.604 . . . . 0.0 111.052 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.49 -53.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.122 1.769 . . . . 0.0 110.059 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -47.56 -54.23 12.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.871 1.668 . . . . 0.0 111.716 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.8 -53.58 55.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.776 -1.107 . . . . 0.0 111.647 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.62 -43.26 65.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.808 1.64 . . . . 0.0 112.869 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.87 -59.33 4.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.369 1.867 . . . . 0.0 110.146 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.44 -43.64 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.776 1.23 . . . . 0.0 112.16 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.39 -51.0 71.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.372 0.987 . . . . 0.0 111.411 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.47 -43.19 83.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.831 1.652 . . . . 0.0 112.231 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.94 -51.7 67.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.437 1.095 . . . . 0.0 110.52 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -55.91 -47.39 77.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.318 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.79 -56.16 4.01 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.565 1.546 . . . . 0.0 113.068 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -68.95 -38.55 79.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.155 -0.966 . . . . 0.0 112.764 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -57.17 -43.2 82.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.743 1.156 . . . . 0.0 111.081 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 128.552 2.741 . . . . 0.0 109.982 173.755 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 m170 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 42.6 t -42.81 -57.06 2.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.488 1.915 . . . . 0.0 113.694 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -60.54 -29.73 69.32 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.6 m -62.97 -51.1 68.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.324 0.966 . . . . 0.0 108.516 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -38.17 76.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.3 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 43.9 mttp -61.04 -44.03 98.01 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.535 1.516 . . . . 0.0 111.848 174.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -60.6 -48.36 82.12 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 110.106 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.45 -54.39 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.832 1.653 . . . . 0.0 109.858 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.38 -54.05 19.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.523 2.729 . . . . 0.0 112.2 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -54.71 -45.15 73.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.459 1.103 . . . . 0.0 111.974 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.79 -47.96 70.49 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.629 -0.669 . . . . 0.0 110.544 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -48.02 5.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.123 2.569 . . . . 0.0 115.105 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.5 p -63.87 -51.04 66.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.817 1.247 . . . . 0.0 112.408 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -66.84 -44.82 80.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.952 1.701 . . . . 0.0 112.55 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.67 132.31 50.69 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.994 1.718 . . . . 0.0 111.553 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -118.53 -2.9 10.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.124 1.77 . . . . 0.0 112.762 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.89 82.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.995 1.318 . . . . 0.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.67 -99.59 0.08 OUTLIER Glycine 0 N--CA 1.471 1.025 0 C-N-CA 125.837 1.684 . . . . 0.0 113.166 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -55.14 -42.39 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.983 1.713 . . . . 0.0 111.412 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 -18.25 56.56 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.992 1.717 . . . . 0.0 115.543 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.91 122.26 17.79 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.009 1.277 . . . . 0.0 110.1 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -67.05 -26.35 66.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.673 1.189 . . . . 0.0 113.344 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.6 118.14 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.151 1.381 . . . . 0.0 110.254 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.27 2.24 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.603 1.561 . . . . 0.0 112.376 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -51.41 -44.84 62.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.924 1.69 . . . . 0.0 113.074 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.85 -51.34 70.42 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.557 1.543 . . . . 0.0 111.398 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.55 73.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.876 1.271 . . . . 0.0 112.386 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.5 p -67.45 -49.28 64.34 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -52.25 -38.97 59.69 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -61.53 -47.43 85.6 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.742 -1.224 . . . . 0.0 110.676 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -54.7 34.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.475 1.91 . . . . 0.0 112.45 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.19 -42.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.0 mm -71.47 -39.78 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.64 -0.663 . . . . 0.0 111.246 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -53.53 -47.74 69.7 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.056 0.942 . . . . 0.0 109.809 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.17 -63.17 1.36 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.249 1.02 . . . . 0.0 109.726 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.04 -46.17 52.83 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.21 -51.13 70.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.584 0.629 . . . . 0.0 112.425 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -70.35 -42.98 71.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.541 1.136 . . . . 0.0 114.062 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.47 130.79 44.11 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.543 1.537 . . . . 0.0 112.792 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -133.07 9.94 4.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.636 1.974 . . . . 0.0 111.766 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.77 119.61 8.51 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.463 1.505 . . . . 0.0 108.2 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -2.42 3.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.21 23.8 1.47 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.698 1.599 . . . . 0.0 114.814 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.3 135.11 93.52 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 120.127 1.33 . . . . 0.0 108.064 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -59.39 -11.83 14.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.223 3.282 . . . . 0.0 116.616 -175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.3 -51.96 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.413 1.006 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.01 -49.39 71.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.023 1.729 . . . . 0.0 113.134 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.86 -61.44 5.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-O 117.445 -1.264 . . . . 0.0 112.374 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.18 -38.76 74.27 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.965 1.777 . . . . 0.0 112.966 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.49 -45.91 90.34 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.169 0.895 . . . . 0.0 111.724 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 N--CA 1.472 0.645 0 C-N-CA 124.703 1.201 . . . . 0.0 110.578 176.188 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 mt -135.57 121.07 13.78 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.959 1.704 . . . . 0.0 107.295 170.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.53 -178.39 4.41 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.335 2.024 . . . . 0.0 111.765 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.17 57.61 1.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.479 1.512 . . . . 0.0 108.153 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.26 151.46 46.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.582 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.5 p -122.83 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.678 1.191 . . . . 0.0 110.749 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.7 p -54.11 -53.03 58.79 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 108.874 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.46 -57.44 8.99 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.833 1.653 . . . . 0.0 112.615 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -52.92 -51.92 59.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.012 0.824 . . . . 0.0 111.997 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 90.6 m -62.27 -47.36 84.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.128 0.971 . . . . 0.0 112.16 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.06 -45.93 75.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.06 1.344 . . . . 0.0 111.785 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -65.06 -51.48 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.387 1.875 . . . . 0.0 112.512 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.72 -33.57 46.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 71.9 40.46 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.474 1.51 . . . . 0.0 111.811 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.68 136.3 70.5 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.933 3.088 . . . . 0.0 113.763 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.24 129.92 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.791 1.237 . . . . 0.0 109.16 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 123.872 0.869 . . . . 0.0 111.3 179.273 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.79 127.32 31.62 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.68 1.992 . . . . 0.0 107.896 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -135.46 160.36 38.7 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 57.35 -143.37 41.52 Favored Glycine 0 N--CA 1.47 0.904 0 C-N-CA 127.061 2.267 . . . . 0.0 115.832 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.54 -31.01 61.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.294 1.047 . . . . 0.0 113.821 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -54.8 -32.9 60.8 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.519 0.728 . . . . 0.0 111.905 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.81 -62.58 1.64 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.12 -47.43 71.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.572 1.149 . . . . 0.0 111.409 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.82 -49.54 68.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.868 1.267 . . . . 0.0 111.227 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.36 89.77 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.546 1.138 . . . . 0.0 111.524 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.92 -38.42 90.9 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.388 1.075 . . . . 0.0 113.222 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.75 -32.52 72.78 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.17 1.388 . . . . 0.0 114.528 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.41 -20.1 58.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.26 117.71 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.714 1.205 . . . . 0.0 110.658 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.754 1.222 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 140.71 15.68 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.883 1.273 . . . . 0.0 112.017 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -57.11 -38.6 95.16 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.253 2.636 . . . . 0.0 113.793 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.07 -44.82 91.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.53 1.059 . . . . 0.0 110.647 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.32 -34.86 71.07 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.519 -0.738 . . . . 0.0 111.07 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -64.72 -46.34 82.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.446 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -52.56 -50.98 61.86 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.855 1.207 . . . . 0.0 111.082 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.12 -51.03 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.356 1.463 . . . . 0.0 111.427 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.6 -52.9 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.338 1.455 . . . . 0.0 110.163 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -49.25 -54.38 17.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.769 1.627 . . . . 0.0 111.298 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -53.48 -60.19 3.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.282 1.433 . . . . 0.0 110.576 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -55.08 -38.93 68.71 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.18 -53.78 51.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.298 1.439 . . . . 0.0 109.492 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.33 -46.44 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.719 1.208 . . . . 0.0 111.269 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.78 -49.27 68.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.926 0.89 . . . . 0.0 111.627 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.0 tp -62.61 -45.19 94.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.147 1.379 . . . . 0.0 112.763 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.33 -47.62 83.15 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.928 -0.483 . . . . 0.0 110.298 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -57.52 -49.18 77.17 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.306 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.92 -50.87 10.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.016 1.726 . . . . 0.0 113.793 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -62.84 -48.41 79.17 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.402 -0.811 . . . . 0.0 111.362 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -42.64 75.85 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 119.178 0.899 . . . . 0.0 112.296 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 127.266 2.226 . . . . 0.0 109.862 177.47 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.44 -41.89 86.13 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.229 0.922 . . . . 0.0 108.932 170.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -50.0 -49.6 50.1 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.122 1.369 . . . . 0.0 110.771 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 m -55.63 -57.44 11.97 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.385 1.474 . . . . 0.0 109.762 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mmt -57.85 -43.5 85.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -59.58 -45.1 92.86 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.753 1.615 . . . . 0.0 112.029 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.17 -49.88 75.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.632 0.773 . . . . 0.0 110.461 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.47 -49.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.188 1.795 . . . . 0.0 111.242 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.95 -58.4 6.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.201 2.601 . . . . 0.0 110.361 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -50.9 -48.82 60.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.421 1.088 . . . . 0.0 111.559 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.23 -54.12 48.22 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.479 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -56.31 -29.62 61.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.25 92.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.884 1.22 . . . . 0.0 112.146 174.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -78.03 -52.53 8.64 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.234 1.414 . . . . 0.0 111.442 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.31 135.41 56.48 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.024 2.13 . . . . 0.0 111.109 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -114.36 -0.68 13.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.58 1.152 . . . . 0.0 112.659 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.06 -76.01 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 111.768 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 -66.34 1.94 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.928 1.252 . . . . 0.0 112.297 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.63 -49.86 73.74 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.615 1.966 . . . . 0.0 111.548 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.11 -12.15 26.98 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.216 1.807 . . . . 0.0 115.202 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -63.0 132.85 53.41 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.244 0.929 . . . . 0.0 110.62 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.03 -34.23 77.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.241 1.416 . . . . 0.0 113.662 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.57 124.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.029 1.332 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.28 1.79 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.11 1.364 . . . . 0.0 112.694 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -54.63 -35.58 63.61 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.348 1.859 . . . . 0.0 114.844 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.28 -46.33 69.24 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.874 2.07 . . . . 0.0 111.429 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.18 -55.57 17.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.354 1.061 . . . . 0.0 111.261 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -53.91 -56.32 18.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.185 1.794 . . . . 0.0 113.451 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 p -53.22 -39.41 63.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.06 1.744 . . . . 0.0 113.34 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.8 -50.45 68.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.313 0.96 . . . . 0.0 109.539 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -54.62 25.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.117 1.767 . . . . 0.0 113.414 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.32 -45.94 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 118.806 0.73 . . . . 0.0 112.645 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.43 -39.33 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.428 0.691 . . . . 0.0 111.534 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.1 m -54.24 -51.41 64.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.948 1.299 . . . . 0.0 110.05 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -58.72 -60.49 3.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.599 0.76 . . . . 0.0 109.816 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -51.39 -45.05 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -45.24 93.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 111.747 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.78 -49.49 25.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.32 125.73 24.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 112.988 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -135.43 24.63 3.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.545 1.938 . . . . 0.0 110.395 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.406 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 18.5 ttm-85 -61.96 142.31 57.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.696 2.398 . . . . 0.0 111.607 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -65.04 -19.4 65.97 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.85 31.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.406 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.4 t -65.33 136.53 96.41 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 120.406 1.457 . . . . 0.0 107.317 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -59.99 -11.73 16.43 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 124.026 3.151 . . . . 0.0 116.741 -175.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.3 -49.54 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.497 1.044 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 m -56.17 -48.21 76.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.801 1.64 . . . . 0.0 112.761 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.95 -61.94 4.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.061 -1.447 . . . . 0.0 112.838 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -58.04 -35.62 98.61 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.497 2.131 . . . . 0.0 113.748 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.45 -48.48 64.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.006 0.923 . . . . 0.0 111.793 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.6 tttm . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 126.122 1.769 . . . . 0.0 111.473 177.92 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.908 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.54 118.12 8.84 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.716 1.606 . . . . 0.0 108.858 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -81.43 -173.88 1.98 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.989 3.126 . . . . 0.0 112.671 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.32 66.21 1.0 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.911 1.684 . . . . 0.0 108.315 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.24 168.55 15.56 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.092 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 70.0 p -136.98 174.2 10.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.432 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.9 p -52.3 -55.5 21.01 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.103 1.361 . . . . 0.0 109.0 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -50.23 -61.54 2.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.43 1.492 . . . . 0.0 112.359 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.74 -50.82 65.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.9 0.773 . . . . 0.0 112.869 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.89 -49.9 73.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.569 0.748 . . . . 0.0 112.168 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.61 -42.74 83.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.778 1.231 . . . . 0.0 111.602 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.94 -51.26 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.988 1.715 . . . . 0.0 111.871 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -71.9 -39.18 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.36 74.59 60.61 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.392 1.077 . . . . 0.0 112.215 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.14 140.11 86.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.911 3.074 . . . . 0.0 113.774 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.6 mt -69.45 128.42 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.791 1.236 . . . . 0.0 108.241 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -175.334 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 135.98 57.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 130.346 3.458 . . . . 0.0 108.866 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -125.21 159.24 32.06 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.867 1.802 . . . . 0.0 115.867 -173.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 38.54 -128.94 1.82 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 128.379 2.895 . . . . 0.0 117.642 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.03 -38.6 57.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.977 1.311 . . . . 0.0 113.747 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -56.54 -31.7 64.4 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.931 0.893 . . . . 0.0 112.138 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.75 -60.96 2.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.149 0.886 . . . . 0.0 108.899 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.01 -40.8 81.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.641 0.776 . . . . 0.0 111.708 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -57.36 -48.83 78.0 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.873 0.869 . . . . 0.0 110.852 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.98 86.92 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.46 1.104 . . . . 0.0 111.046 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.1 -38.76 92.46 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.097 -1.002 . . . . 0.0 113.037 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.56 -31.68 73.01 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.168 1.387 . . . . 0.0 113.717 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.87 -23.36 43.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.685 1.194 . . . . 0.0 114.091 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 33.2 t -62.35 -48.75 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.366 1.867 . . . . 0.0 112.199 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.3 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.935 2.494 . . . . 0.0 113.493 -172.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -140.3 133.28 14.88 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.351 1.46 . . . . 0.0 111.827 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.68 -45.67 26.97 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.169 3.246 . . . . 0.0 115.086 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.12 -43.64 98.57 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 111.47 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -62.85 -30.69 71.69 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.374 -0.828 . . . . 0.0 111.847 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -65.21 -40.43 94.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.286 0.948 . . . . 0.0 110.287 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -59.08 -44.05 91.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.189 0.996 . . . . 0.0 110.809 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.27 -52.05 67.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -55.08 -51.99 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.744 1.217 . . . . 0.0 110.118 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.95 -53.8 14.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.042 1.737 . . . . 0.0 111.7 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -53.72 -59.01 5.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.49 1.116 . . . . 0.0 110.484 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.03 -38.71 68.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.17 -58.97 5.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.096 1.758 . . . . 0.0 109.155 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.705 1.202 . . . . 0.0 111.942 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.94 -48.24 80.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.617 1.099 . . . . 0.0 112.153 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.3 -45.5 93.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.713 1.205 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.69 -48.84 79.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.941 0.497 . . . . 0.0 110.602 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.42 -52.33 59.73 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.351 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.02 -47.63 3.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.546 1.538 . . . . 0.0 114.686 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -78.63 -46.65 18.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.821 1.248 . . . . 0.0 112.31 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -50.96 -51.2 54.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.916 1.286 . . . . 0.0 110.731 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 129.469 3.108 . . . . 0.0 111.221 177.057 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 t -50.49 -48.22 56.87 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.122 0.874 . . . . 0.0 110.332 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -50.56 -41.72 54.51 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 174.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -58.73 -56.2 25.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 108.522 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -36.16 73.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.077 . . . . 0.0 112.957 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -63.52 -46.56 85.45 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.25 1.841 . . . . 0.0 112.046 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -57.68 -47.47 82.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.485 0.714 . . . . 0.0 109.865 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.52 -58.5 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.152 1.781 . . . . 0.0 110.056 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -44.21 -56.2 4.28 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.945 2.898 . . . . 0.0 112.13 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -51.55 -57.89 7.83 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.281 1.032 . . . . 0.0 111.163 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -57.11 -46.72 82.39 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -45.93 19.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.999 2.12 . . . . 0.0 112.954 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -43.7 96.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.734 0.813 . . . . 0.0 112.91 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -71.99 -41.7 67.33 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.377 1.071 . . . . 0.0 112.308 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.8 t -60.52 146.9 43.25 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.143 2.177 . . . . 0.0 111.991 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -131.92 -1.14 3.76 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.695 1.598 . . . . 0.0 112.982 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.46 -69.8 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.288 1.035 . . . . 0.0 111.697 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.0 -73.14 1.29 Allowed Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.875 1.226 . . . . 0.0 112.743 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -56.76 -44.93 82.24 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.993 1.717 . . . . 0.0 111.748 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.22 -5.54 24.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.5 t -66.6 124.94 24.21 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.223 1.374 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.73 -30.7 71.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.828 1.251 . . . . 0.0 113.504 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.33 113.99 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.832 1.253 . . . . 0.0 110.042 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.03 -56.17 6.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.444 1.897 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -61.57 -44.69 96.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.094 1.357 . . . . 0.0 113.52 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.26 -50.69 70.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.307 1.443 . . . . 0.0 110.835 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.1 13.55 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.01 . . . . 0.0 110.234 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -57.54 -51.77 68.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.822 2.449 . . . . 0.0 115.924 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 p -53.38 -30.27 38.93 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.208 1.803 . . . . 0.0 114.867 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -59.71 -54.4 46.84 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.088 -1.008 . . . . 0.0 111.812 173.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.0 -48.64 70.2 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.209 1.004 . . . . 0.0 113.362 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 pt -53.71 -44.7 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.093 0.86 . . . . 0.0 112.203 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.2 mm -73.5 -42.05 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.56 0.744 . . . . 0.0 111.494 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 m -52.67 -52.44 55.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.782 1.233 . . . . 0.0 110.648 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -58.96 -60.9 3.13 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.299 1.04 . . . . 0.0 109.431 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -48.68 -46.64 40.58 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -64.73 -47.84 76.79 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.661 -0.649 . . . . 0.0 112.492 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -67.19 -40.88 86.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.4 t -57.36 132.97 54.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.077 1.751 . . . . 0.0 113.86 -175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 p -131.63 4.76 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 127.286 2.234 . . . . 0.0 111.963 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.84 120.43 9.55 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.458 1.503 . . . . 0.0 108.98 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -2.84 6.95 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.14 23.86 1.66 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.539 1.535 . . . . 0.0 114.696 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.94 136.52 95.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 119.682 1.128 . . . . 0.0 108.301 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -56.77 -21.53 40.34 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.78 2.987 . . . . 0.0 116.491 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.63 -50.2 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.493 1.042 . . . . 0.0 111.376 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -55.91 -48.83 74.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.095 1.758 . . . . 0.0 112.8 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.08 -62.94 2.77 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.321 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -58.15 -41.28 68.98 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.075 1.85 . . . . 0.0 113.305 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 -44.26 91.66 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.405 -0.809 . . . . 0.0 111.951 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 124.846 1.258 . . . . 0.0 110.678 176.075 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.903 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.41 112.96 19.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.501 1.52 . . . . 0.0 107.831 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.38 173.39 14.36 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.03 2.487 . . . . 0.0 114.049 -173.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -119.9 69.07 0.84 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.101 1.76 . . . . 0.0 107.635 172.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.22 173.01 6.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.329 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -138.73 168.6 19.44 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.265 -0.897 . . . . 0.0 110.353 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.1 p -53.95 -53.14 56.86 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.803 0.841 . . . . 0.0 109.384 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.75 -56.3 14.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.383 1.473 . . . . 0.0 112.024 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.69 -52.95 44.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.474 0.71 . . . . 0.0 111.859 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.4 m -61.74 -48.87 78.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.719 0.808 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.12 -37.37 69.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.937 1.295 . . . . 0.0 112.436 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.91 -53.0 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.841 2.057 . . . . 0.0 112.456 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -75.82 -32.79 59.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.092 1.357 . . . . 0.0 114.185 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.22 72.63 59.16 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.204 1.402 . . . . 0.0 110.85 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.53 143.11 95.34 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.314 2.676 . . . . 0.0 111.862 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.4 mt -65.23 145.21 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 124.169 0.987 . . . . 0.0 108.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 123.831 0.852 . . . . 0.0 112.374 -178.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.958 0.885 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 118.19 7.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.868 2.467 . . . . 0.0 107.759 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -150.69 166.73 29.48 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.116 0.966 . . . . 0.0 113.192 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.62 -148.54 33.87 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.097 1.332 . . . . 0.0 112.934 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.9 -32.51 61.06 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.993 1.397 . . . . 0.0 113.015 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -51.18 -34.52 31.98 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.948 1.299 . . . . 0.0 112.402 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.86 -62.04 2.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.147 0.979 . . . . 0.0 109.298 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.48 -40.71 75.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.22 1.008 . . . . 0.0 111.298 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.2 -47.34 83.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.688 1.195 . . . . 0.0 110.677 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.13 -46.54 83.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.458 1.103 . . . . 0.0 111.68 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.65 -34.28 77.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.619 1.167 . . . . 0.0 112.095 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.64 -42.32 98.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.551 1.541 . . . . 0.0 113.06 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -52.59 -17.95 1.51 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.44 -37.05 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.921 1.688 . . . . 0.0 111.857 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.751 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.492 0.187 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -142.24 136.61 15.0 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.623 1.569 . . . . 0.0 111.673 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -52.96 -54.27 5.37 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.558 2.838 . . . . 0.0 113.559 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -62.35 -40.42 96.35 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.38 -0.825 . . . . 0.0 112.158 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.02 -38.2 72.81 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.03 1.286 . . . . 0.0 110.937 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -62.88 -46.04 89.71 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.337 0.972 . . . . 0.0 110.494 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.61 -47.07 73.86 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.603 1.161 . . . . 0.0 111.468 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.95 -48.15 82.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.58 1.552 . . . . 0.0 111.16 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.66 -49.57 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.164 1.386 . . . . 0.0 110.157 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -51.13 -51.23 55.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.654 1.582 . . . . 0.0 110.945 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -53.91 50.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.034 0.934 . . . . 0.0 110.722 175.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -58.53 -40.83 84.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.57 -55.7 28.88 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.134 1.774 . . . . 0.0 108.826 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.34 -53.64 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.27 1.428 . . . . 0.0 112.57 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.03 -42.2 80.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.952 1.251 . . . . 0.0 111.899 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.17 -47.63 83.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 0.0 111.797 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 mt -58.77 -50.7 72.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.932 0.893 . . . . 0.0 110.097 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.5 -51.42 62.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.115 1.366 . . . . 0.0 110.685 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.08 -45.54 8.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.242 1.417 . . . . 0.0 113.909 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -72.23 -49.13 37.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.328 1.051 . . . . 0.0 111.835 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -52.65 -45.2 66.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.968 1.307 . . . . 0.0 111.087 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 128.475 2.71 . . . . 0.0 111.408 177.194 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.3 t -49.12 -46.06 44.44 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.514 1.052 . . . . 0.0 111.38 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -49.62 -47.63 49.56 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.444 1.898 . . . . 0.0 112.472 174.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -56.46 -54.24 48.09 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.671 1.188 . . . . 0.0 109.404 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -39.43 88.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.127 -0.94 . . . . 0.0 112.652 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.27 -47.54 85.54 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.876 1.671 . . . . 0.0 111.346 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -57.04 -47.84 79.97 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.164 0.586 . . . . 0.0 110.251 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.12 -48.56 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.587 1.555 . . . . 0.0 111.169 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.31 -49.71 66.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.795 2.438 . . . . 0.0 111.845 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -59.45 -43.6 93.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.127 . . . . 0.0 111.751 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.66 -52.41 45.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.565 0.746 . . . . 0.0 111.212 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 mtp -39.97 -52.48 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.341 2.657 . . . . 0.0 114.424 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 p -59.06 -47.05 86.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.052 0.941 . . . . 0.0 112.774 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -72.88 -43.14 62.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.742 1.617 . . . . 0.0 112.946 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.7 t -60.11 120.79 10.4 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.646 1.978 . . . . 0.0 113.317 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -101.16 -10.48 20.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.477 1.511 . . . . 0.0 113.577 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.78 88.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.281 1.432 . . . . 0.0 113.499 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.1 -107.82 1.63 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.749 1.166 . . . . 0.0 112.761 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -57.15 -40.91 78.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.16 62.37 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.07 127.19 30.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.81 1.186 . . . . 0.0 110.79 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.78 -30.49 71.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.259 1.424 . . . . 0.0 113.817 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.54 118.47 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 110.622 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.63 -57.02 6.88 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.943 1.697 . . . . 0.0 113.107 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.79 -43.85 94.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.537 1.535 . . . . 0.0 113.116 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.76 -47.08 83.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.348 1.459 . . . . 0.0 111.901 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -56.07 18.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.497 0.719 . . . . 0.0 110.026 175.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.2 m -54.39 -53.37 54.89 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.472 2.309 . . . . 0.0 115.145 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -45.12 -45.07 11.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.405 2.282 . . . . 0.0 114.438 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -55.78 -41.01 73.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.765 0.826 . . . . 0.0 111.752 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.97 -51.45 54.98 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.802 1.183 . . . . 0.0 112.451 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -53.58 -44.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.652 1.114 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mm -70.64 -39.15 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -53.94 -53.63 50.07 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.641 0.655 . . . . 0.0 110.078 173.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -54.16 -64.78 0.72 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.254 1.021 . . . . 0.0 111.137 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -50.37 -48.12 55.93 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -66.78 -41.68 87.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -71.71 -41.02 69.09 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.3 t -57.14 129.7 42.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.277 1.831 . . . . 0.0 113.467 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.7 p -127.0 12.48 7.2 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.068 2.147 . . . . 0.0 112.155 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -64.63 139.58 58.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.985 1.714 . . . . 0.0 110.943 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -72.01 -23.21 61.36 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.98 34.99 1.56 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.55 136.96 96.95 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.69 -10.01 12.99 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.381 3.387 . . . . 0.0 117.119 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -126.42 -52.73 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.311 1.045 . . . . 0.0 110.267 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.83 -46.44 71.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.545 1.538 . . . . 0.0 112.328 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.66 -62.56 5.63 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-O 117.283 -1.341 . . . . 0.0 112.307 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -53.24 -41.02 75.52 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.081 1.779 . . . . 0.0 112.67 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.18 -57.92 10.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.756 0.823 . . . . 0.0 112.269 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt . . . . . 0 N--CA 1.479 1.008 0 CA-C-N 119.953 1.252 . . . . 0.0 112.847 -179.603 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.11 141.13 18.8 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.287 1.835 . . . . 0.0 111.081 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -83.65 177.42 6.29 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.709 2.939 . . . . 0.0 113.004 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -120.33 66.22 0.83 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.743 1.617 . . . . 0.0 108.32 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.9 mt -68.28 165.37 18.67 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 66.4 p -137.9 166.65 23.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.494 1.118 . . . . 0.0 110.436 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p -52.22 -50.31 62.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.836 0.855 . . . . 0.0 110.265 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -51.52 -57.71 8.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.651 1.58 . . . . 0.0 111.882 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -52.41 -52.38 54.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.693 0.797 . . . . 0.0 112.119 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.04 -50.15 75.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.304 1.042 . . . . 0.0 112.417 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -49.61 73.22 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.426 1.091 . . . . 0.0 111.749 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.9 t -59.98 -52.39 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.573 1.949 . . . . 0.0 112.492 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -73.48 -37.06 65.87 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.62 75.15 69.24 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.976 0.91 . . . . 0.0 112.484 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -51.62 126.96 21.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.26 3.306 . . . . 0.0 113.416 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 18.8 mt -71.81 129.59 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.31 1.444 . . . . 0.0 110.237 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 . . . . . 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 111.85 178.542 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 114.84 21.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 130.143 3.377 . . . . 0.0 105.239 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -148.32 166.71 27.22 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 -142.28 35.17 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.039 1.304 . . . . 0.0 112.956 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.77 -35.77 61.66 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.143 0.972 . . . . 0.0 112.769 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.31 -38.4 52.76 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.007 1.323 . . . . 0.0 112.389 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.7 mt -54.88 -63.52 1.13 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.504 1.121 . . . . 0.0 109.228 177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.27 -43.23 70.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.679 1.191 . . . . 0.0 111.519 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -56.18 -49.68 73.34 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.302 1.041 . . . . 0.0 110.935 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.77 78.1 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 112.099 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.93 -42.05 88.82 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.556 1.071 . . . . 0.0 111.799 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.92 -27.93 69.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.175 1.39 . . . . 0.0 114.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.31 -13.64 14.0 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.62 -59.62 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.877 1.271 . . . . 0.0 110.048 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.144 0 C-N-CA 128.347 2.659 . . . . 0.0 114.701 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.556 0.217 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.78 137.47 15.16 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.769 1.628 . . . . 0.0 111.024 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.7 -38.46 71.35 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.888 2.392 . . . . 0.0 113.513 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.49 -34.12 73.86 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.725 -1.234 . . . . 0.0 111.423 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.12 -41.53 98.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.885 -1.134 . . . . 0.0 109.499 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.51 -45.99 87.65 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.832 173.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -51.74 -50.38 60.7 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 119.822 1.192 . . . . 0.0 111.109 172.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.68 -47.28 85.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.611 1.165 . . . . 0.0 111.69 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.44 -46.78 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.39 1.476 . . . . 0.0 110.738 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.24 -54.81 22.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.919 1.288 . . . . 0.0 110.931 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.298 4.6 pp0? -63.06 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.262 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -53.1 -47.19 68.77 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.824 1.647 . . . . 0.0 111.399 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.78 -57.86 10.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.118 1.767 . . . . 0.0 109.482 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.53 -48.96 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.306 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.02 -46.96 86.88 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.598 1.09 . . . . 0.0 112.041 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.22 -45.1 92.01 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 110.94 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.95 -47.07 87.32 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.827 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -51.97 -52.01 53.36 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.115 0.87 . . . . 0.0 110.785 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.0 5.75 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.308 1.043 . . . . 0.0 113.134 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -73.22 -41.91 63.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.477 0.711 . . . . 0.0 112.656 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.81 -52.44 56.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.44 1.496 . . . . 0.0 111.028 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.9 t -53.15 -58.07 8.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 129.168 2.987 . . . . 0.0 110.017 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -50.93 -56.51 11.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.485 1.514 . . . . 0.0 111.905 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -53.02 -57.31 10.8 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.768 2.027 . . . . 0.0 111.594 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -54.11 -54.44 39.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.084 1.753 . . . . 0.0 111.388 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -52.94 -51.42 61.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.177 1.391 . . . . 0.0 112.148 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.27 -45.55 92.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.01 0.924 . . . . 0.0 112.223 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.71 -63.17 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.024 1.33 . . . . 0.0 112.463 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -158.03 124.37 4.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.424 1.49 . . . . 0.0 111.49 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.85 162.01 34.74 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.101 0.858 . . . . 0.0 113.801 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -144.16 -67.67 0.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.547 2.339 . . . . 0.0 106.438 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.68 139.31 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -48.23 128.92 14.91 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.22 74.99 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.748 1.219 . . . . 0.0 111.709 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.82 149.65 39.51 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.254 2.221 . . . . 0.0 114.414 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -135.87 -52.15 0.74 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.686 1.994 . . . . 0.0 112.193 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.6 mt -72.02 134.79 83.0 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.998 1.719 . . . . 0.0 111.787 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -63.45 -49.17 4.8 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.644 2.229 . . . . 0.0 112.927 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -61.81 -9.42 6.59 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 128.058 2.543 . . . . 0.0 116.447 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.5 t -47.01 -52.83 13.87 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 112.487 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -52.96 -41.43 64.52 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.675 1.19 . . . . 0.0 113.117 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -59.5 -51.95 67.66 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.55 0.74 . . . . 0.0 109.398 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.72 -36.11 79.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.946 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -60.64 -43.08 97.98 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 120.9 1.682 . . . . 0.0 111.108 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.92 -47.18 87.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.545 0.738 . . . . 0.0 110.086 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.8 -48.24 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 0.0 110.474 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.17 -52.45 51.85 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.44 2.296 . . . . 0.0 111.622 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -55.86 -48.31 75.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.579 1.152 . . . . 0.0 111.454 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.3 -51.82 68.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.811 0.845 . . . . 0.0 111.423 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.9 mtp -46.1 -48.54 17.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.829 1.652 . . . . 0.0 114.256 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.8 -40.83 98.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.982 0.913 . . . . 0.0 113.12 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.52 -50.95 14.12 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.885 1.274 . . . . 0.0 112.449 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.65 142.25 58.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.064 1.746 . . . . 0.0 111.245 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -130.17 0.8 4.67 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.528 1.931 . . . . 0.0 112.687 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -38.22 78.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.289 1.436 . . . . 0.0 113.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.4 -98.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.987 1.755 . . . . 0.0 113.883 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -54.57 -42.81 71.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.463 1.505 . . . . 0.0 111.424 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.6 56.44 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.961 1.704 . . . . 0.0 115.134 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.53 120.18 13.54 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.702 1.137 . . . . 0.0 110.268 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -68.72 -24.9 64.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.768 1.227 . . . . 0.0 113.341 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.8 t -64.31 119.71 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.261 1.424 . . . . 0.0 110.977 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.55 -53.44 14.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.227 1.811 . . . . 0.0 112.092 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -55.1 -54.06 47.94 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 0.0 113.249 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.8 t -55.28 -55.42 31.62 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.155 1.382 . . . . 0.0 111.039 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -45.78 66.14 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.634 1.173 . . . . 0.0 112.681 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.0 m -70.39 -55.91 7.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.574 1.549 . . . . 0.0 113.477 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -52.43 -44.02 65.19 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.046 2.138 . . . . 0.0 114.192 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.37 -46.65 85.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.067 -1.021 . . . . 0.0 110.184 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -55.64 32.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.148 1.779 . . . . 0.0 112.477 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.87 -46.96 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.346 0.975 . . . . 0.0 112.895 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.39 -40.39 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 118.508 0.594 . . . . 0.0 111.037 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.0 m -55.03 -48.11 73.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.648 0.779 . . . . 0.0 110.7 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -58.11 -63.06 1.39 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.782 0.833 . . . . 0.0 109.644 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -50.86 -44.29 59.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -59.51 -51.74 68.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.263 1.425 . . . . 0.0 112.14 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -73.11 -41.66 63.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.28 121.63 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.923 1.689 . . . . 0.0 112.81 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -134.53 23.2 3.7 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.411 2.285 . . . . 0.0 110.36 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -63.65 149.38 46.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 128.669 2.788 . . . . 0.0 111.995 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -48.97 -55.92 10.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.618 1.567 . . . . 0.0 111.133 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -147.71 123.56 10.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.633 1.573 . . . . 0.0 111.036 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.86 142.6 42.73 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 128.009 2.523 . . . . 0.0 105.776 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -61.69 -4.68 4.81 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.987 3.124 . . . . 0.0 116.874 -175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.62 -52.51 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.616 1.098 . . . . 0.0 110.502 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.81 -52.13 51.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.872 2.069 . . . . 0.0 112.772 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.6 -61.88 4.95 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.879 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -58.14 -35.85 98.38 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.266 1.977 . . . . 0.0 113.222 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.54 -49.1 72.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.139 -0.976 . . . . 0.0 111.997 175.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.88 -53.95 51.02 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.594 1.557 . . . . 0.0 111.421 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -117.92 91.5 3.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.98 1.712 . . . . 0.0 109.999 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.1 118.86 8.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.696 0.798 . . . . 0.0 110.671 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.6 m -56.26 -47.0 79.44 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.687 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.31 122.76 26.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.994 1.318 . . . . 0.0 110.233 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -136.7 151.09 48.86 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.97 1.708 . . . . 0.0 111.373 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.018 2.127 . . . . 0.0 111.513 179.606 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 119.701 -0.19 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -146.97 141.15 26.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.66 1.984 . . . . 0.0 110.427 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -55.16 32.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.594 1.158 . . . . 0.0 112.527 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.67 70.36 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.548 0.739 . . . . 0.0 111.885 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.08 2.7 1.39 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.747 2.019 . . . . 0.0 115.941 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.97 118.59 2.7 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.459 1.481 . . . . 0.0 112.378 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 47.7 mt 37.42 58.63 1.27 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.384 2.274 . . . . 0.0 114.042 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.06 -34.2 68.01 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.475 -0.766 . . . . 0.0 111.043 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -41.27 -39.72 2.33 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 127.772 2.606 . . . . 0.0 114.012 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -42.25 -57.08 2.68 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.835 2.054 . . . . 0.0 112.241 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 49.8 m -91.62 -35.74 14.05 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.506 1.922 . . . . 0.0 112.738 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -32.11 61.99 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.995 1.318 . . . . 0.0 113.039 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.44 -34.17 60.91 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.823 1.649 . . . . 0.0 113.157 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.95 89.54 2.39 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.769 1.228 . . . . 0.0 111.091 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.6 m 67.67 -58.6 0.43 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.39 2.676 . . . . 0.0 114.654 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.47 -78.01 0.22 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.045 2.259 . . . . 0.0 109.637 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 93.3 mt -122.42 124.5 26.78 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.795 1.638 . . . . 0.0 108.696 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -81.63 179.21 5.91 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.684 2.922 . . . . 0.0 112.827 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -115.94 62.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.3 1.44 . . . . 0.0 109.191 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.44 166.83 19.56 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.978 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -139.74 168.36 20.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.602 1.161 . . . . 0.0 110.706 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p -52.53 -52.77 53.09 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.304 1.042 . . . . 0.0 109.355 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -51.71 -57.87 7.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.458 1.503 . . . . 0.0 112.233 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.13 -52.27 59.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.946 0.899 . . . . 0.0 111.896 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.07 -48.24 82.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.463 1.105 . . . . 0.0 112.113 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.05 -46.85 75.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.501 1.52 . . . . 0.0 111.578 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 t -63.68 -50.75 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 126.434 1.894 . . . . 0.0 112.109 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.36 -43.08 61.39 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.6 75.71 68.23 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.658 1.183 . . . . 0.0 111.559 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.29 135.71 70.23 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.941 3.094 . . . . 0.0 113.936 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.1 mt -63.61 128.87 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.576 1.55 . . . . 0.0 108.903 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.23 138.77 56.03 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.952 0.901 . . . . 0.0 111.992 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.59 -88.58 1.59 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.687 1.137 . . . . 0.0 111.189 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 64.0 m -140.16 138.93 35.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.359 1.864 . . . . 0.0 110.336 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 61.8 mtm-85 -67.91 138.92 56.38 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.721 0.772 . . . . 0.0 112.108 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -147.86 -167.47 2.81 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 109.893 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 25.7 mt -144.27 94.71 2.61 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.478 1.911 . . . . 0.0 109.422 174.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 123.51 16.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.004 2.121 . . . . 0.0 107.035 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.89 164.34 32.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 61.64 -139.98 47.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.9 1.715 . . . . 0.0 114.553 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.84 -42.43 47.33 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.791 1.237 . . . . 0.0 113.175 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -54.27 -32.33 55.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.06 1.344 . . . . 0.0 112.923 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -56.96 -60.09 4.09 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.313 0.961 . . . . 0.0 109.237 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -57.25 -42.39 81.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.173 0.989 . . . . 0.0 111.219 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -57.95 -46.99 84.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.949 1.3 . . . . 0.0 110.938 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.71 84.96 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.32 1.048 . . . . 0.0 110.821 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.49 -30.75 71.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.98 -1.075 . . . . 0.0 113.1 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.52 -38.62 90.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.575 1.15 . . . . 0.0 112.631 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.27 -15.52 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.101 1.76 . . . . 0.0 115.395 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.87 -37.17 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.812 1.645 . . . . 0.0 111.769 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.292 1.437 . . . . 0.0 114.722 -176.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -121.09 83.68 38.69 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.5 -106.52 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.618 2.878 . . . . 0.0 108.216 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -61.3 -18.09 56.8 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.25 -1.531 . . . . 0.0 112.214 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.43 -22.8 65.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.675 1.19 . . . . 0.0 112.11 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -53.17 -53.55 48.94 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.427 . . . . 0.0 109.707 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -54.75 -49.73 70.15 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.7 2.0 . . . . 0.0 111.083 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -56.68 -55.81 29.39 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.291 1.436 . . . . 0.0 111.378 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.59 -51.48 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.969 1.307 . . . . 0.0 110.201 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.99 -51.96 37.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.602 1.161 . . . . 0.0 111.357 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.87 -62.39 1.69 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.288 1.035 . . . . 0.0 110.852 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.71 -40.96 66.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.64 -55.07 39.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 109.082 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.44 -49.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 112.254 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.43 -45.96 80.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.579 1.081 . . . . 0.0 111.874 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.91 -44.11 96.96 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.877 0.871 . . . . 0.0 111.857 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.77 -48.59 81.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.478 0.711 . . . . 0.0 109.794 175.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -52.91 -53.86 43.22 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.543 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.9 -52.37 2.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.272 1.429 . . . . 0.0 114.034 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -80.22 -38.83 30.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.185 -0.947 . . . . 0.0 113.108 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -54.42 -40.24 68.1 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.537 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.77 -59.13 5.3 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 130.234 3.414 . . . . 0.0 109.778 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.13 -52.0 62.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.968 1.307 . . . . 0.0 110.862 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -54.61 -48.76 71.82 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.436 1.894 . . . . 0.0 112.461 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -58.71 -45.59 89.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.161 0.984 . . . . 0.0 110.584 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.5 -37.51 78.49 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.483 0.713 . . . . 0.0 112.729 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -55.94 -47.93 76.66 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.465 1.03 . . . . 0.0 111.048 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.76 -44.45 77.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.443 1.097 . . . . 0.0 111.483 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 71.47 145.14 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 130.967 3.707 . . . . 0.0 112.934 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.74 162.68 32.68 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.366 1.46 . . . . 0.0 112.297 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.9 -53.09 52.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.291 1.037 . . . . 0.0 111.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.26 131.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.646 1.179 . . . . 0.0 109.645 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -49.35 141.29 9.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.114 1.366 . . . . 0.0 113.967 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.72 -66.99 0.83 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.021 0.928 . . . . 0.0 109.384 175.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -70.87 139.26 50.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.888 1.275 . . . . 0.0 112.305 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.7 p -135.62 -61.89 0.71 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.315 1.846 . . . . 0.0 111.914 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.45 135.81 94.06 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.122 1.769 . . . . 0.0 111.954 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.71 -43.37 7.43 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.178 2.586 . . . . 0.0 113.759 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -66.88 -9.62 39.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.489 1.516 . . . . 0.0 114.708 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -51.69 -48.08 63.63 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.334 1.454 . . . . 0.0 111.056 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -46.13 -50.56 15.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 111.828 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -62.42 -51.74 66.32 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.657 1.183 . . . . 0.0 110.643 177.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.0 mmt -58.63 -37.59 76.24 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -62.42 -41.4 98.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.583 1.538 . . . . 0.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -61.91 -49.48 76.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.603 0.761 . . . . 0.0 109.976 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.44 -51.87 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.184 1.394 . . . . 0.0 110.382 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.87 -54.08 33.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.66 2.384 . . . . 0.0 111.811 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.94 -46.85 75.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 111.375 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -61.71 -48.59 80.04 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.455 0.702 . . . . 0.0 111.324 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -44.25 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.215 2.606 . . . . 0.0 114.867 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -65.64 -44.26 86.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.747 0.819 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -70.76 -52.84 18.12 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.618 1.167 . . . . 0.0 112.145 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.02 147.44 52.09 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.917 1.287 . . . . 0.0 111.172 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.9 5.11 4.97 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.925 1.69 . . . . 0.0 112.542 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.88 -73.51 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.021 0.929 . . . . 0.0 112.015 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.51 -72.58 1.21 Allowed Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.628 1.109 . . . . 0.0 112.353 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -43.2 -51.74 5.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.078 2.551 . . . . 0.0 114.058 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.47 14.75 12.85 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.736 1.615 . . . . 0.0 114.184 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.08 143.05 58.17 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.738 0.815 . . . . 0.0 110.408 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.27 -40.92 95.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.953 1.301 . . . . 0.0 111.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -71.11 114.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.34 1.456 . . . . 0.0 108.898 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.08 -49.05 69.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.552 0.741 . . . . 0.0 112.107 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -57.07 -29.37 63.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.742 1.617 . . . . 0.0 114.498 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.15 -49.73 75.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 109.785 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.73 63.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.15 0.98 . . . . 0.0 111.602 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -63.52 1.23 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.196 1.399 . . . . 0.0 112.733 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 p -49.8 -43.41 48.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.115 2.166 . . . . 0.0 114.574 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -59.7 -51.18 70.88 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.532 -0.73 . . . . 0.0 110.34 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -54.95 41.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.005 1.722 . . . . 0.0 113.399 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -52.83 -44.17 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.217 0.917 . . . . 0.0 112.704 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.61 -38.66 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.256 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.38 -46.96 66.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.83 0.741 . . . . 0.0 110.211 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -60.42 -66.24 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.176 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -50.72 -43.75 58.05 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.14 -52.28 63.79 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.408 1.483 . . . . 0.0 112.081 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -80.15 -33.72 38.26 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.14 119.27 5.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 113.063 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 p -132.11 23.59 4.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.063 2.545 . . . . 0.0 110.321 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -63.74 148.51 48.98 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 128.097 2.559 . . . . 0.0 111.339 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -51.55 -51.3 56.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.82 1.248 . . . . 0.0 111.164 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.82 131.28 15.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.631 1.572 . . . . 0.0 110.708 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.32 143.03 47.17 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.408 2.283 . . . . 0.0 105.109 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -62.84 -7.08 10.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.501 2.801 . . . . 0.0 116.616 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.05 -51.6 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.4 m -52.5 -48.99 65.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.236 1.814 . . . . 0.0 113.056 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.65 -62.06 5.69 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.625 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -58.37 -40.3 76.41 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.053 1.835 . . . . 0.0 112.71 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.58 -49.39 77.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.74 0.816 . . . . 0.0 111.555 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -55.64 -53.21 59.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.584 1.154 . . . . 0.0 109.377 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -51.68 -54.2 30.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.74 0.816 . . . . 0.0 111.514 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.67 -45.69 73.94 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.967 0.907 . . . . 0.0 112.544 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m -66.21 -48.35 70.9 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.86 1.664 . . . . 0.0 113.083 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -139.95 97.59 3.28 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.788 2.435 . . . . 0.0 111.069 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -76.81 160.4 29.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 111.91 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.55 1.54 . . . . 0.0 112.252 178.383 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -146.79 139.29 24.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.571 1.948 . . . . 0.0 109.324 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.89 -51.88 54.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.143 0.977 . . . . 0.0 112.466 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.51 -58.77 5.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.013 0.925 . . . . 0.0 109.995 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.3 35.87 0.4 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.976 1.311 . . . . 0.0 113.482 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 19.5 ptt-85 -43.83 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.557 2.343 . . . . 0.0 114.502 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.22 55.06 1.82 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.923 1.689 . . . . 0.0 108.83 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.64 100.42 3.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.06 -43.82 0.22 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 127.213 2.34 . . . . 0.0 109.816 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -45.15 -57.79 3.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.922 1.689 . . . . 0.0 111.729 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.5 p -74.39 -53.42 9.64 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.709 2.003 . . . . 0.0 111.879 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 72.6 mtp -42.64 -39.5 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.29 2.236 . . . . 0.0 114.017 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -52.43 -42.44 64.12 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.63 1.972 . . . . 0.0 113.106 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -95.02 -56.58 2.7 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.007 2.123 . . . . 0.0 111.927 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 34.2 m -58.97 -38.51 79.29 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.945 2.498 . . . . 0.0 114.671 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.59 -113.5 5.91 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.41 108.6 11.21 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.701 1.601 . . . . 0.0 107.373 172.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.66 169.43 20.87 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.111 2.54 . . . . 0.0 112.768 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -117.78 63.69 0.75 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.541 1.537 . . . . 0.0 108.516 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.63 110.78 4.41 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.485 1.114 . . . . 0.0 108.568 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 51.9 p -72.24 170.61 13.7 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.778 0.799 . . . . 0.0 111.567 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -55.42 -50.57 69.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.618 1.167 . . . . 0.0 109.18 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -53.99 -55.85 23.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.9 1.68 . . . . 0.0 111.222 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -48.8 -60.38 2.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.693 0.797 . . . . 0.0 111.361 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.8 m -56.0 -52.24 64.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.798 1.239 . . . . 0.0 113.022 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -57.78 -46.93 83.9 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.784 1.233 . . . . 0.0 112.461 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.74 -45.93 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 111.449 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.04 -51.85 54.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.672 1.589 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -130.85 75.66 78.34 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.701 1.2 . . . . 0.0 111.726 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.28 133.88 58.05 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.94 3.093 . . . . 0.0 113.092 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 28.1 mt -66.72 144.61 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.246 1.418 . . . . 0.0 109.627 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.01 109.31 2.09 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.959 0.904 . . . . 0.0 109.903 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.24 -178.88 43.54 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.98 1.276 . . . . 0.0 113.836 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 37.4 m -75.41 79.01 2.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 113.263 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.04 150.27 45.58 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.016 2.526 . . . . 0.0 108.964 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -148.81 169.12 21.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.084 0.954 . . . . 0.0 112.446 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 13.6 mt 0.59 86.29 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.455 3.502 . . . . 0.0 116.905 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.47 47.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.712 2.805 . . . . 0.0 107.432 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.84 160.33 43.33 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -174.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.55 -149.22 46.48 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 126.276 1.893 . . . . 0.0 114.369 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.06 -31.09 62.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.533 1.167 . . . . 0.0 113.568 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -53.11 -33.12 50.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.309 1.044 . . . . 0.0 111.795 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 52.3 mt -57.23 -63.18 1.31 Allowed 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 108.929 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.48 -42.82 74.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 111.874 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.68 -49.45 76.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.974 1.31 . . . . 0.0 110.547 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.83 88.82 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.843 1.257 . . . . 0.0 111.779 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.26 -44.55 96.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.732 1.213 . . . . 0.0 112.385 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.96 -41.76 75.2 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.721 1.608 . . . . 0.0 114.339 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -47.04 -21.82 0.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.55 -50.52 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -144.4 134.43 11.81 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 111.446 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -47.83 -50.69 11.2 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.845 3.03 . . . . 0.0 114.757 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.9 -40.21 96.87 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.378 -0.826 . . . . 0.0 112.101 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.02 -39.78 82.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.235 0.925 . . . . 0.0 110.442 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.238 0.926 . . . . 0.0 110.992 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -57.27 -46.09 83.42 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.405 1.082 . . . . 0.0 111.109 174.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.43 -48.99 78.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.709 1.204 . . . . 0.0 110.939 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.14 -52.51 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.84 1.256 . . . . 0.0 109.399 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -47.59 -54.22 12.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.312 1.845 . . . . 0.0 112.019 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -52.4 -57.5 9.64 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.689 1.196 . . . . 0.0 110.63 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -57.93 -39.41 77.96 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.299 1.039 . . . . 0.0 113.224 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.94 -58.05 9.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.976 1.71 . . . . 0.0 109.342 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.82 -48.86 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.215 1.406 . . . . 0.0 111.731 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.75 -51.4 69.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.665 0.666 . . . . 0.0 112.74 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.8 -46.72 84.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.008 1.323 . . . . 0.0 112.248 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.06 -54.86 42.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.795 1.238 . . . . 0.0 110.551 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -54.38 -51.52 64.54 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.474 1.11 . . . . 0.0 111.008 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.19 -54.86 4.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.733 1.613 . . . . 0.0 113.817 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -68.57 -43.15 77.19 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -54.94 -50.9 67.72 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.625 1.17 . . . . 0.0 111.142 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.83 -54.09 48.74 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 129.662 3.185 . . . . 0.0 110.464 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -53.4 -55.6 23.74 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.121 1.368 . . . . 0.0 111.49 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.23 -50.4 69.55 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.239 1.416 . . . . 0.0 111.42 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -54.41 -54.15 44.55 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.113 1.365 . . . . 0.0 111.228 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.16 -53.96 42.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.601 1.56 . . . . 0.0 111.537 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.86 -45.48 82.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.844 1.258 . . . . 0.0 112.272 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.42 3.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.666 1.187 . . . . 0.0 111.49 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -156.29 111.91 2.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.924 1.69 . . . . 0.0 111.061 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.51 -154.09 21.47 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.574 1.083 . . . . 0.0 112.844 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.61 146.71 32.45 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.557 1.943 . . . . 0.0 109.074 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.06 -43.83 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 123.898 0.879 . . . . 0.0 110.532 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -79.45 83.5 5.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.627 1.971 . . . . 0.0 108.809 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.72 -69.87 0.49 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.46 1.504 . . . . 0.0 111.347 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.62 142.97 57.88 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.805 1.642 . . . . 0.0 112.737 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -97.6 -29.24 13.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.643 1.577 . . . . 0.0 114.523 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.6 123.09 83.64 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 119.142 0.883 . . . . 0.0 110.804 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.75 -37.0 22.31 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.238 1.959 . . . . 0.0 110.714 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -58.07 -28.47 64.58 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.159 2.184 . . . . 0.0 113.553 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.32 -44.83 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.283 1.433 . . . . 0.0 110.881 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.77 -48.63 77.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.234 1.414 . . . . 0.0 111.24 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.8 m -58.13 -51.15 70.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.838 1.255 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.7 mmt -57.94 -42.0 83.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.865 1.266 . . . . 0.0 112.162 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -61.88 -41.92 98.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.145 1.378 . . . . 0.0 111.704 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -62.67 -46.86 86.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.504 -0.747 . . . . 0.0 110.268 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.57 -47.37 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.797 1.639 . . . . 0.0 110.432 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -52.19 -51.19 59.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.819 2.048 . . . . 0.0 111.815 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.97 -48.11 79.15 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.072 . . . . 0.0 111.234 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -58.42 -50.18 74.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.1 0.56 . . . . 0.0 111.369 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.4 mtp -48.77 -44.9 39.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.532 1.533 . . . . 0.0 115.056 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.9 p -69.3 -38.53 78.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.277 0.944 . . . . 0.0 112.263 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.85 -54.74 14.01 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.321 1.448 . . . . 0.0 111.444 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.94 147.29 53.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.368 1.867 . . . . 0.0 111.302 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -132.54 10.19 4.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.096 1.758 . . . . 0.0 112.042 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.3 -67.46 0.81 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.097 0.959 . . . . 0.0 112.131 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.78 -71.67 1.1 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.817 1.199 . . . . 0.0 113.372 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.99 -54.75 33.43 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.325 1.85 . . . . 0.0 110.921 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.07 53.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.47 1.508 . . . . 0.0 113.996 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.19 122.96 16.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.374 1.069 . . . . 0.0 110.932 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -66.59 -27.5 67.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.76 1.224 . . . . 0.0 113.184 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.52 118.22 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.403 1.481 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.95 53.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.76 1.624 . . . . 0.0 111.89 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -53.25 -58.52 6.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.88 1.672 . . . . 0.0 112.569 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.02 -55.87 13.0 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.253 1.821 . . . . 0.0 111.849 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.45 -43.44 64.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.931 0.892 . . . . 0.0 112.479 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.98 -57.3 4.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.767 1.627 . . . . 0.0 113.954 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -51.99 -46.48 64.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.258 2.223 . . . . 0.0 113.754 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -56.48 -43.71 79.92 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.389 -0.82 . . . . 0.0 110.773 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -56.21 23.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.229 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 pt -53.79 -42.79 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.782 0.719 . . . . 0.0 112.569 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.52 -39.23 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 118.885 -0.578 . . . . 0.0 111.215 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.0 m -53.19 -47.37 68.92 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.046 0.839 . . . . 0.0 110.293 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.87 -63.52 1.18 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.833 0.853 . . . . 0.0 110.165 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -53.93 -41.1 67.35 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.58 -49.1 78.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.946 1.298 . . . . 0.0 111.566 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -76.38 -44.95 34.05 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.272 1.429 . . . . 0.0 114.851 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.8 t -57.29 132.78 54.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.281 1.832 . . . . 0.0 113.914 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -129.78 3.51 4.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.433 2.293 . . . . 0.0 112.236 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -58.46 118.19 5.32 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.969 1.707 . . . . 0.0 109.822 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 3.25 1.87 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -146.25 20.22 1.39 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.492 1.517 . . . . 0.0 114.722 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.29 137.29 94.4 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-N 119.454 1.024 . . . . 0.0 108.607 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -58.23 -14.91 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 124.008 3.139 . . . . 0.0 116.748 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.62 -52.13 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.598 1.09 . . . . 0.0 111.499 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.89 -48.38 70.16 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.955 1.702 . . . . 0.0 112.685 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.06 -63.47 2.94 Favored Pre-proline 0 CA--C 1.546 0.803 0 CA-C-O 116.904 -1.522 . . . . 0.0 112.465 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -57.42 -37.49 97.26 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.308 2.006 . . . . 0.0 113.112 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.53 -45.02 95.96 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.493 -0.754 . . . . 0.0 111.657 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.65 -56.09 25.46 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -149.93 136.4 19.07 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.171 1.388 . . . . 0.0 112.345 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.64 -71.28 0.56 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.277 1.431 . . . . 0.0 110.895 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.3 m -141.05 151.38 43.99 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.407 1.883 . . . . 0.0 110.632 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.1 132.29 47.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.805 0.842 . . . . 0.0 111.594 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.76 148.2 45.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.553 1.941 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.529 1.531 . . . . 0.0 112.387 178.738 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.586 0.231 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.07 157.67 43.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.981 1.713 . . . . 0.0 110.927 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -110.84 -53.0 2.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.985 1.714 . . . . 0.0 110.992 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -37.95 -57.87 0.99 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.038 2.135 . . . . 0.0 113.026 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 72.5 m -131.34 64.12 1.59 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.949 1.7 . . . . 0.0 107.991 173.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 136.19 2.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.504 1.922 . . . . 0.0 112.134 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 mt 59.85 67.31 0.88 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.988 1.715 . . . . 0.0 110.201 -172.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.68 -39.16 61.65 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.167 1.387 . . . . 0.0 111.065 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.8 -19.37 20.97 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 127.064 2.269 . . . . 0.0 116.434 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -46.73 -65.34 0.57 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.679 1.592 . . . . 0.0 112.687 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 68.8 m -74.54 -26.16 59.79 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.919 1.287 . . . . 0.0 112.806 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 62.2 mtt -60.33 -33.61 72.65 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.529 1.132 . . . . 0.0 112.632 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.64 -40.0 68.55 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.344 1.458 . . . . 0.0 112.219 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.21 -61.79 1.58 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.979 1.711 . . . . 0.0 112.574 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.2 m -89.35 -51.37 5.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.436 1.495 . . . . 0.0 114.962 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.67 -88.11 1.47 Allowed Glycine 0 N--CA 1.471 1.026 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -126.02 115.64 24.06 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.085 1.754 . . . . 0.0 107.448 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.39 171.09 16.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.262 2.642 . . . . 0.0 113.627 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -110.66 63.77 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.258 1.423 . . . . 0.0 108.903 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.38 170.78 11.2 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.656 173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 52.7 p -140.84 169.32 17.84 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.283 1.033 . . . . 0.0 110.58 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p -54.64 -50.32 68.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.209 1.004 . . . . 0.0 109.455 174.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.68 -57.84 8.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.759 1.624 . . . . 0.0 111.835 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.04 -52.14 52.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.797 0.839 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.06 -49.73 76.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.424 1.09 . . . . 0.0 112.157 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -56.4 -46.72 80.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.949 1.3 . . . . 0.0 111.813 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.1 t -61.38 -50.54 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.164 1.786 . . . . 0.0 112.213 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -75.88 -34.73 60.0 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.82 74.78 37.61 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.492 1.117 . . . . 0.0 112.142 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.5 138.16 65.94 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.19 3.26 . . . . 0.0 114.515 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.27 127.96 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.513 1.925 . . . . 0.0 108.93 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -57.08 -47.06 81.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.941 1.296 . . . . 0.0 114.211 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.27 165.25 26.29 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.006 1.288 . . . . 0.0 112.503 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -77.59 61.58 2.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.652 1.181 . . . . 0.0 111.924 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -139.57 167.3 22.4 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.48 2.712 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -153.68 177.99 10.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.508 1.523 . . . . 0.0 111.938 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.4 mt 0.43 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 130.231 3.412 . . . . 0.0 116.28 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.12 138.12 26.3 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 129.431 3.093 . . . . 0.0 110.676 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.04 157.25 47.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.144 1.378 . . . . 0.0 114.314 -175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 53.53 -144.41 25.68 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 127.188 2.328 . . . . 0.0 116.472 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.87 -30.75 62.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.82 -31.05 58.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.947 0.794 . . . . 0.0 111.769 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.85 -64.8 0.76 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.51 -43.42 75.66 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.317 1.447 . . . . 0.0 112.009 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -56.57 -51.22 69.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.821 1.248 . . . . 0.0 110.543 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.15 87.14 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 111.65 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.22 -46.42 90.51 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.273 1.029 . . . . 0.0 112.731 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.54 -20.65 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.35 -22.76 65.23 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.937 1.244 . . . . 0.0 114.067 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 14.2 t -62.19 118.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.386 1.074 . . . . 0.0 109.129 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 123.941 0.896 . . . . 0.0 112.922 178.729 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.536 0.208 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.37 138.52 14.81 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.578 1.551 . . . . 0.0 111.327 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -60.42 -39.31 67.44 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.924 2.416 . . . . 0.0 113.492 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.97 -34.15 74.86 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.92 -1.112 . . . . 0.0 111.26 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.96 -41.73 96.9 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.85 -1.156 . . . . 0.0 109.647 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.1 -44.0 91.91 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.255 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -53.86 -49.37 68.65 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.739 1.154 . . . . 0.0 110.957 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.73 -42.44 97.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.88 1.272 . . . . 0.0 111.543 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.48 -46.7 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 110.143 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -50.99 -56.46 12.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -44.94 94.84 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.941 0.791 . . . . 0.0 111.677 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -55.27 -45.51 76.13 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.175 0.898 . . . . 0.0 112.074 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.66 -55.39 34.68 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.266 1.826 . . . . 0.0 109.902 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.5 -51.2 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.415 1.486 . . . . 0.0 112.363 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.29 -47.15 79.23 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.006 0.821 . . . . 0.0 111.688 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.96 -48.83 80.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.08 0.952 . . . . 0.0 112.096 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.2 mt -56.49 -53.33 58.75 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.177 0.991 . . . . 0.0 110.19 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -54.46 -49.96 68.86 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.739 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.25 -47.12 9.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.129 1.372 . . . . 0.0 114.175 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -71.57 -46.4 59.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.562 -0.711 . . . . 0.0 111.465 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -53.18 -41.15 64.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.337 1.855 . . . . 0.0 112.203 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -53.24 -46.51 69.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.187 2.995 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -55.33 -51.21 67.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.103 0.961 . . . . 0.0 110.576 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.67 -52.29 66.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.145 0.978 . . . . 0.0 110.82 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -54.57 -49.48 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.406 1.483 . . . . 0.0 112.109 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.04 -51.38 69.51 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.519 1.928 . . . . 0.0 111.389 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -59.64 -43.71 93.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.779 0.832 . . . . 0.0 111.675 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.44 54.47 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.75 1.22 . . . . 0.0 111.899 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -146.88 112.29 5.56 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.015 1.726 . . . . 0.0 111.728 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.0 140.09 4.26 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.415 1.483 . . . . 0.0 111.627 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.59 -86.04 0.13 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.453 1.101 . . . . 0.0 110.442 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.12 -48.58 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.908 1.283 . . . . 0.0 109.808 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -146.6 156.74 43.44 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.749 2.42 . . . . 0.0 110.035 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.08 -63.4 0.77 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.529 1.532 . . . . 0.0 110.498 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.4 t -82.06 170.97 14.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.089 1.356 . . . . 0.0 114.404 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.7 m -133.38 -30.56 1.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.109 2.563 . . . . 0.0 113.705 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.9 130.26 94.41 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.415 1.086 . . . . 0.0 110.789 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.14 -52.47 0.49 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.067 2.511 . . . . 0.0 112.625 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -75.39 1.91 12.69 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 14.0 t -53.2 -50.49 64.58 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.268 1.027 . . . . 0.0 109.686 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -54.7 -46.38 74.15 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.626 1.57 . . . . 0.0 111.137 174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -54.74 -52.43 62.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.23 1.012 . . . . 0.0 110.459 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.0 mmt -61.67 -36.91 82.21 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 112.445 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 49.4 mttp -60.56 -40.76 92.8 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.36 1.436 . . . . 0.0 111.424 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -58.61 -49.25 78.17 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.804 0.729 . . . . 0.0 109.805 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.49 -49.0 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.207 1.803 . . . . 0.0 110.403 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.43 -51.59 53.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.046 2.139 . . . . 0.0 112.038 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.26 -44.96 84.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.616 1.166 . . . . 0.0 111.8 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -64.63 -52.28 58.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.638 -0.664 . . . . 0.0 111.397 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.9 mtp -41.97 -51.06 4.52 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.598 1.959 . . . . 0.0 114.747 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -61.61 -46.09 91.32 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.068 0.947 . . . . 0.0 112.744 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -73.2 -32.83 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 113.508 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.4 t -59.02 141.33 54.24 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.806 1.643 . . . . 0.0 112.516 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -131.82 -9.51 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.899 2.079 . . . . 0.0 112.841 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.38 81.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.982 1.313 . . . . 0.0 112.455 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.03 -109.07 2.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.022 1.296 . . . . 0.0 112.535 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -58.86 -38.6 79.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.214 1.406 . . . . 0.0 111.916 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.52 -17.4 61.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.752 1.621 . . . . 0.0 114.872 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.63 118.37 8.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.584 1.084 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -71.55 -22.15 61.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.727 1.211 . . . . 0.0 113.364 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.99 117.66 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.085 1.354 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.31 8.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.195 1.798 . . . . 0.0 112.168 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -54.51 -51.47 65.02 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.975 1.71 . . . . 0.0 113.162 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.32 -57.34 12.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.334 1.454 . . . . 0.0 111.474 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.66 70.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.45 1.1 . . . . 0.0 112.362 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 m -66.19 -57.47 7.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.232 1.413 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -52.21 -45.83 65.4 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.781 2.032 . . . . 0.0 113.545 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -58.27 -43.58 88.0 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.636 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -56.49 20.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.34 1.456 . . . . 0.0 112.963 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -52.58 -45.47 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.048 0.84 . . . . 0.0 112.284 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.97 -38.17 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.301 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.3 m -53.77 -52.87 58.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.057 0.844 . . . . 0.0 110.251 173.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.83 -60.47 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.946 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -52.82 -43.41 65.93 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -44.8 93.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.468 1.107 . . . . 0.0 111.512 176.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.11 -43.93 85.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.568 1.147 . . . . 0.0 112.954 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.7 t -55.67 118.84 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.195 2.198 . . . . 0.0 114.72 -173.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.5 p -127.38 11.42 6.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.986 2.514 . . . . 0.0 111.025 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -59.53 143.85 49.01 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.473 2.309 . . . . 0.0 111.839 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -51.81 -49.79 62.08 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 111.688 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -147.86 127.14 13.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.611 1.564 . . . . 0.0 111.441 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -130.19 143.56 49.67 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 128.362 2.665 . . . . 0.0 106.168 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -62.01 -6.83 8.52 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.059 3.172 . . . . 0.0 117.484 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.65 -43.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.921 1.237 . . . . 0.0 111.634 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.8 m -58.54 -56.18 25.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.561 1.544 . . . . 0.0 111.406 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -37.92 -61.39 0.8 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.371 1.869 . . . . 0.0 115.05 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.0 -38.39 94.77 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.664 2.243 . . . . 0.0 113.798 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.3 mt -73.34 -52.72 12.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.77 1.228 . . . . 0.0 111.605 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -53.58 -50.52 65.43 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 130.711 3.604 . . . . 0.0 111.909 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -128.42 81.98 2.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.881 1.672 . . . . 0.0 109.981 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.54 -54.35 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.482 1.113 . . . . 0.0 111.794 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 m -61.93 144.99 54.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.994 1.718 . . . . 0.0 113.097 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.11 143.03 57.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.167 0.987 . . . . 0.0 111.684 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -135.37 122.27 21.19 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.42 1.888 . . . . 0.0 109.935 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.522 1.529 . . . . 0.0 111.672 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.578 0.228 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -146.89 152.12 38.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.951 1.701 . . . . 0.0 111.16 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -147.31 -47.0 0.17 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.481 1.912 . . . . 0.0 111.68 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.32 9.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.753 0.821 . . . . 0.0 111.77 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 81.5 m -79.99 12.36 2.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.437 1.495 . . . . 0.0 114.863 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -26.04 -69.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 129.007 2.923 . . . . 0.0 115.185 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.26 71.08 1.36 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.062 1.745 . . . . 0.0 108.963 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.85 -40.3 92.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.091 0.956 . . . . 0.0 111.96 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -39.75 -41.82 1.92 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 127.202 2.334 . . . . 0.0 114.292 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -39.33 -56.92 1.47 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.054 2.142 . . . . 0.0 113.352 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 m -99.98 -26.37 14.01 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 61.5 mtp -63.29 -29.66 70.94 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.011 0.823 . . . . 0.0 112.428 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.08 -33.8 58.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.046 1.338 . . . . 0.0 112.667 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.67 90.24 1.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.161 1.384 . . . . 0.0 111.557 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.2 m 55.59 19.55 3.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.595 2.358 . . . . 0.0 116.226 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.28 -67.16 3.52 Favored Glycine 0 CA--C 1.532 1.12 0 O-C-N 120.732 -1.23 . . . . 0.0 112.139 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 77.7 mt -137.04 138.01 24.51 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.983 2.113 . . . . 0.0 109.667 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -82.01 178.84 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.143 2.562 . . . . 0.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -119.19 60.65 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.715 1.606 . . . . 0.0 108.863 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.17 171.22 12.42 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.054 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.7 p -141.48 169.83 16.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.927 1.291 . . . . 0.0 110.246 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -54.4 -51.51 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.975 0.91 . . . . 0.0 109.586 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -51.91 -58.78 5.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.248 1.419 . . . . 0.0 111.805 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.9 -51.33 61.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.156 0.982 . . . . 0.0 111.896 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 74.6 m -61.8 -48.92 78.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.202 1.001 . . . . 0.0 112.251 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.89 -45.55 82.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.863 1.265 . . . . 0.0 111.379 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.976 1.71 . . . . 0.0 111.811 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -73.19 -38.39 66.16 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.0 76.77 57.86 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.993 1.317 . . . . 0.0 111.715 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.25 142.25 68.46 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 124.152 3.235 . . . . 0.0 114.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 20.5 mt -84.31 147.04 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 125.798 1.639 . . . . 0.0 109.655 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -54.91 -54.8 37.92 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.95 -24.33 0.41 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 117.684 1.834 . . . . 0.0 117.684 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -54.24 -43.69 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.243 1.521 . . . . 0.0 113.078 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -143.5 165.3 27.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.147 2.179 . . . . 0.0 110.599 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -120.06 -34.96 3.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.337 1.455 . . . . 0.0 112.477 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.3 mt -134.73 96.57 3.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.19 1.396 . . . . 0.0 110.07 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 120.69 16.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.593 2.357 . . . . 0.0 106.624 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -138.08 161.86 35.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.626 1.171 . . . . 0.0 114.046 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 62.72 -143.43 48.66 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.589 2.042 . . . . 0.0 115.34 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.51 -35.11 52.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.356 1.062 . . . . 0.0 113.292 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -54.23 -34.29 60.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 0.0 112.129 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.44 -59.98 4.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.293 1.037 . . . . 0.0 109.12 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.47 -44.25 80.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.773 1.229 . . . . 0.0 111.498 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -57.01 -49.2 76.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.65 1.18 . . . . 0.0 110.852 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.87 72.34 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.663 1.185 . . . . 0.0 110.924 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.613 1.097 . . . . 0.0 112.586 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.92 -27.87 69.12 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.397 1.479 . . . . 0.0 114.735 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.56 -15.14 10.07 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.41 -51.57 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.809 1.244 . . . . 0.0 110.93 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.4 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.967 2.907 . . . . 0.0 115.441 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.425 0.155 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.16 134.48 13.64 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.389 1.475 . . . . 0.0 111.713 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.4 -49.49 14.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.929 3.086 . . . . 0.0 114.657 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.45 -40.8 96.41 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.091 -1.006 . . . . 0.0 112.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.97 -37.04 75.88 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.926 0.784 . . . . 0.0 110.568 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -64.05 -45.23 89.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.75 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -54.27 -49.36 69.74 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.631 1.105 . . . . 0.0 110.944 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.18 -46.92 84.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.19 1.396 . . . . 0.0 111.102 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.76 -48.66 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.935 1.294 . . . . 0.0 110.752 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -51.04 -55.12 19.07 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.903 1.229 . . . . 0.0 109.927 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -56.44 14.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.893 1.277 . . . . 0.0 111.468 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -55.1 -43.05 73.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.377 1.071 . . . . 0.0 112.588 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -57.09 -57.0 14.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.821 1.649 . . . . 0.0 109.542 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.97 -48.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.331 1.452 . . . . 0.0 112.368 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.89 -47.09 86.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.5 1.045 . . . . 0.0 111.618 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.41 -43.59 92.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.377 1.071 . . . . 0.0 111.935 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.55 -49.84 75.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.793 0.837 . . . . 0.0 110.185 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -54.54 -49.62 69.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.169 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.92 -52.05 5.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.775 1.63 . . . . 0.0 114.243 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -71.99 -42.87 65.96 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.041 -1.037 . . . . 0.0 111.915 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.18 -38.99 71.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.471 1.108 . . . . 0.0 111.979 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.8 t -56.84 -55.98 27.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 129.474 3.11 . . . . 0.0 109.707 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.82 -44.76 86.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.132 1.373 . . . . 0.0 111.294 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -53.28 60.05 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.072 1.749 . . . . 0.0 111.083 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -51.01 -54.11 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.869 2.068 . . . . 0.0 111.112 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -55.03 -54.32 44.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.589 1.556 . . . . 0.0 112.121 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.27 -45.86 92.73 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.525 1.13 . . . . 0.0 112.815 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.01 -52.21 66.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.513 1.525 . . . . 0.0 112.426 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -153.13 -55.79 0.12 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.723 1.209 . . . . 0.0 112.49 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.12 167.95 17.89 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.676 2.084 . . . . 0.0 110.681 -173.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.8 154.85 38.05 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.699 1.6 . . . . 0.0 109.623 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -53.01 -43.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.698 1.199 . . . . 0.0 110.221 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -118.8 74.94 1.0 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.965 2.106 . . . . 0.0 108.286 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.08 2.88 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.576 1.15 . . . . 0.0 110.113 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -81.62 167.91 18.72 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.313 1.845 . . . . 0.0 110.933 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.7 m -133.97 -22.97 1.79 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mp -134.93 139.91 33.54 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 120.144 1.338 . . . . 0.0 112.068 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -63.35 -28.68 71.92 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.936 2.424 . . . . 0.0 113.143 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -68.01 -17.25 64.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.958 2.103 . . . . 0.0 113.98 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.7 t -52.57 -43.06 65.02 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.291 1.836 . . . . 0.0 111.602 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -44.77 -51.24 9.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.372 1.869 . . . . 0.0 112.933 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -59.42 -51.82 68.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.551 0.74 . . . . 0.0 110.198 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -58.79 -41.36 86.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.825 -0.607 . . . . 0.0 112.626 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -62.62 -45.91 90.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.387 1.475 . . . . 0.0 111.266 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.73 -48.62 80.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.243 0.617 . . . . 0.0 110.463 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.21 -50.55 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.626 1.571 . . . . 0.0 110.677 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.46 -53.24 39.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.383 2.273 . . . . 0.0 111.643 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -55.11 -45.22 75.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.061 0.944 . . . . 0.0 111.674 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -63.11 -50.83 68.94 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.657 -0.652 . . . . 0.0 110.828 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -48.04 11.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.343 2.657 . . . . 0.0 114.947 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -62.61 -45.88 90.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.469 -0.769 . . . . 0.0 112.437 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -69.62 -49.64 52.0 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.472 1.509 . . . . 0.0 112.344 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.3 145.91 54.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.37 1.468 . . . . 0.0 111.107 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -131.75 5.47 4.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.505 1.922 . . . . 0.0 112.383 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.09 -58.0 3.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.987 1.315 . . . . 0.0 112.775 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 -89.09 0.21 Allowed Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.775 1.178 . . . . 0.0 113.436 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -58.18 -47.99 81.69 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.893 1.277 . . . . 0.0 111.283 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.29 -13.8 59.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.387 1.475 . . . . 0.0 114.462 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.1 133.09 49.99 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.174 0.897 . . . . 0.0 111.367 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.03 -32.7 74.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.987 1.315 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.97 114.99 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.4 1.48 . . . . 0.0 110.672 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.15 60.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.563 1.545 . . . . 0.0 112.091 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -60.54 -38.69 85.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.257 1.423 . . . . 0.0 113.693 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.76 -57.23 13.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.423 1.465 . . . . 0.0 109.987 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.34 -44.01 61.91 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.829 1.251 . . . . 0.0 112.436 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -69.16 -58.79 3.59 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.543 1.537 . . . . 0.0 113.566 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 p -51.4 -41.81 60.99 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 114.425 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -61.42 -37.81 84.84 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.939 -1.101 . . . . 0.0 111.988 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -55.2 13.78 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.347 1.859 . . . . 0.0 111.889 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.16 -44.07 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.729 0.695 . . . . 0.0 112.794 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -69.46 -40.18 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.438 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -53.64 -50.66 65.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.961 0.801 . . . . 0.0 109.89 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.05 -63.97 0.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.713 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -52.32 -44.92 65.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.103 1.319 . . . . 0.0 114.153 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -58.96 -46.24 88.55 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.597 1.159 . . . . 0.0 112.071 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -73.91 -40.14 63.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.871 1.268 . . . . 0.0 113.497 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.76 122.71 13.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 113.155 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -134.23 24.72 3.85 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.059 2.544 . . . . 0.0 110.195 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -65.09 149.53 49.72 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 128.459 2.704 . . . . 0.0 112.707 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -51.55 -50.67 59.6 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.938 1.695 . . . . 0.0 111.176 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.91 127.1 9.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.952 1.701 . . . . 0.0 110.782 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -130.73 144.04 51.83 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.866 2.866 . . . . 0.0 105.795 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -63.29 5.71 0.29 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.533 3.489 . . . . 0.0 117.517 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.84 -51.11 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 119.885 1.221 . . . . 0.0 109.693 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.3 m -52.4 -50.09 63.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.384 2.273 . . . . 0.0 112.136 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.33 -64.75 1.22 Allowed Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 116.886 -1.53 . . . . 0.0 112.491 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -58.64 -40.85 69.75 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.236 1.957 . . . . 0.0 113.305 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -57.01 -46.12 82.55 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.186 0.903 . . . . 0.0 111.699 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -64.69 -54.33 33.28 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.882 1.673 . . . . 0.0 111.173 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -145.84 118.44 8.57 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.077 1.351 . . . . 0.0 113.016 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.61 -57.71 0.99 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.711 2.005 . . . . 0.0 108.658 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -74.6 146.86 42.15 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.38 1.472 . . . . 0.0 109.99 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.16 134.54 56.15 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.48 -0.762 . . . . 0.0 112.091 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -132.28 108.48 9.25 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.201 1.8 . . . . 0.0 109.791 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.894 1.678 . . . . 0.0 112.287 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.62 0.248 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.82 151.66 38.28 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.927 1.691 . . . . 0.0 111.022 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 68.0 tp -165.8 99.0 0.67 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.045 2.138 . . . . 0.0 109.428 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.02 -74.42 0.13 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.773 1.629 . . . . 0.0 107.482 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 62.7 m -70.13 -54.53 12.55 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 179.67 -67.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.728 1 C-N-CA 131.928 4.091 . . . . 0.0 106.321 176.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 69.0 mt -147.07 103.97 3.64 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.443 2.697 . . . . 0.0 109.266 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.93 114.96 4.43 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.54 -42.85 1.0 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.101 1.81 . . . . 0.0 110.908 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.63 -68.28 0.21 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.17 2.188 . . . . 0.0 112.832 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 75.3 m -81.07 -21.15 40.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.026 1.33 . . . . 0.0 112.855 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 55.7 mtp -59.87 -36.74 77.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.09 0.956 . . . . 0.0 111.224 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.39 -37.03 67.06 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.359 1.464 . . . . 0.0 113.365 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -66.63 -51.32 57.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.506 1.522 . . . . 0.0 114.519 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.9 m -122.94 -19.17 6.21 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -173.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.16 -78.4 1.58 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.154 1.359 . . . . 0.0 110.777 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.6 mt -138.39 120.58 10.64 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 127.33 2.252 . . . . 0.0 108.154 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -79.58 175.03 11.08 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.745 2.297 . . . . 0.0 113.09 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -122.26 68.2 0.94 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.151 1.78 . . . . 0.0 107.952 172.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.0 175.83 4.84 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.348 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -140.57 168.38 19.94 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 109.614 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.1 p -55.34 -47.71 75.31 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.09 -59.22 4.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.234 1.814 . . . . 0.0 111.585 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.31 -52.46 52.93 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.756 0.822 . . . . 0.0 111.718 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.66 -50.42 72.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.822 1.249 . . . . 0.0 112.427 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -53.26 -48.43 68.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.387 1.475 . . . . 0.0 111.703 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.39 -50.97 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.341 1.856 . . . . 0.0 112.602 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -76.25 -41.05 50.32 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.98 81.59 61.88 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 125.954 1.702 . . . . 0.0 111.293 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.01 167.62 5.42 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.738 3.625 . . . . 0.0 115.414 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.65 128.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.448 1.899 . . . . 0.0 108.528 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.86 -48.72 75.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.935 0.894 . . . . 0.0 113.102 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -90.44 -168.18 42.31 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.514 1.53 . . . . 0.0 114.565 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -69.39 -12.81 61.97 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -65.0 163.85 13.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.439 1.018 . . . . 0.0 111.809 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -139.59 -53.59 0.55 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.806 1.642 . . . . 0.0 111.904 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 63.0 mt -142.02 117.17 10.05 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.742 2.017 . . . . 0.0 109.083 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 142.55 56.85 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.664 1.985 . . . . 0.0 110.619 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -128.85 149.72 50.64 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.13 -132.83 4.27 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 127.49 2.471 . . . . 0.0 117.556 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.67 -37.05 58.1 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 114.376 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.73 -31.98 59.06 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.99 -65.35 0.61 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 108.997 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.98 -44.53 70.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.592 1.157 . . . . 0.0 111.48 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -55.3 -51.07 67.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.501 1.121 . . . . 0.0 111.199 175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.71 96.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.207 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.29 -45.09 93.03 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.095 0.958 . . . . 0.0 112.42 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.17 -35.67 71.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.689 1.596 . . . . 0.0 115.229 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.4 -18.78 0.69 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -61.15 -37.93 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.211 1.404 . . . . 0.0 112.027 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.58 140.78 15.54 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.985 1.314 . . . . 0.0 111.887 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -57.29 -33.62 96.43 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.365 2.71 . . . . 0.0 113.92 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -64.96 -47.89 76.01 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.389 0.995 . . . . 0.0 110.247 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.24 -40.23 93.27 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.808 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -61.67 -48.7 79.64 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.683 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -61.19 -37.9 84.59 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.221 1.373 . . . . 0.0 111.931 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.8 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.962 . . . . 0.0 110.329 173.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -58.02 -49.13 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.605 1.562 . . . . 0.0 110.363 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -51.39 -54.11 29.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.671 1.188 . . . . 0.0 110.799 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -54.45 -57.55 10.9 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.53 1.532 . . . . 0.0 110.55 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.5 -47.23 57.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.945 1.698 . . . . 0.0 112.886 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.52 -55.77 28.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.822 1.649 . . . . 0.0 109.47 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.06 -48.58 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.33 1.452 . . . . 0.0 112.084 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -56.04 -48.5 75.89 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.35 0.977 . . . . 0.0 111.734 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.9 -47.32 83.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.812 1.245 . . . . 0.0 111.796 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.45 -50.44 73.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.581 1.153 . . . . 0.0 110.509 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -54.58 -53.0 60.33 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.744 0.818 . . . . 0.0 110.548 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.57 -49.53 13.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 113.56 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -63.81 -48.0 78.61 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.055 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -56.59 -45.88 81.15 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 119.407 1.003 . . . . 0.0 111.532 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 t -55.98 -53.24 59.33 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.711 2.005 . . . . 0.0 110.327 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -56.86 -53.82 53.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.144 1.378 . . . . 0.0 111.418 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -51.23 -55.2 19.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.065 2.146 . . . . 0.0 110.893 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -54.1 -56.88 13.86 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.226 2.21 . . . . 0.0 110.948 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -52.27 -53.05 48.79 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.467 1.507 . . . . 0.0 111.918 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -59.44 -47.8 84.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.581 1.152 . . . . 0.0 112.52 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -69.59 0.31 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.995 1.318 . . . . 0.0 112.315 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -170.26 107.8 0.34 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.98 2.512 . . . . 0.0 109.119 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.76 69.44 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 124.848 1.213 . . . . 0.0 112.373 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.42 -61.1 2.3 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.013 1.325 . . . . 0.0 110.514 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -85.19 110.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -71.33 102.47 2.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.392 1.077 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.43 -29.66 66.31 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.848 1.259 . . . . 0.0 112.86 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -53.67 119.93 5.56 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.381 1.872 . . . . 0.0 113.338 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 m -135.33 28.93 3.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.568 1.947 . . . . 0.0 111.243 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -133.55 105.07 11.97 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.424 1.89 . . . . 0.0 110.978 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -49.68 -43.36 40.27 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.657 2.905 . . . . 0.0 114.28 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -68.79 -9.59 51.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.838 2.055 . . . . 0.0 115.532 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 53.9 t -52.43 -50.23 63.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.277 1.431 . . . . 0.0 111.365 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -52.58 -44.4 65.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.843 1.257 . . . . 0.0 111.89 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -60.76 -49.5 77.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.28 1.032 . . . . 0.0 109.959 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -59.48 -38.58 81.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.342 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 45.4 mttp -60.68 -42.96 98.17 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.266 1.394 . . . . 0.0 111.415 175.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -60.18 -48.81 80.18 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.563 0.745 . . . . 0.0 109.925 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.31 -55.72 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.359 1.463 . . . . 0.0 110.041 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -49.42 -55.82 11.79 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.493 2.717 . . . . 0.0 112.261 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -54.92 -45.47 74.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.959 1.304 . . . . 0.0 111.853 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.22 -48.48 70.42 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.712 -0.617 . . . . 0.0 110.58 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.68 -47.9 7.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.077 2.551 . . . . 0.0 114.871 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -63.17 -47.56 82.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.158 0.983 . . . . 0.0 112.407 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.89 -45.39 67.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.577 1.551 . . . . 0.0 112.374 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.72 141.75 57.66 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.302 1.841 . . . . 0.0 111.212 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -126.21 -3.92 6.83 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.329 1.452 . . . . 0.0 112.863 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.6 -55.86 6.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 112.164 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -88.12 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.016 1.293 . . . . 0.0 112.66 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -56.34 -48.53 76.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.832 1.653 . . . . 0.0 111.735 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.52 -13.01 58.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.16 134.01 51.86 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.924 1.238 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.3 -36.06 82.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.237 1.415 . . . . 0.0 113.266 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.04 124.2 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.492 1.517 . . . . 0.0 110.506 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.55 -64.3 0.87 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.496 1.518 . . . . 0.0 112.926 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.975 1.31 . . . . 0.0 114.411 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.78 -47.56 70.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.288 1.435 . . . . 0.0 111.759 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.24 -54.08 42.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.804 1.242 . . . . 0.0 111.494 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m -58.64 -54.09 51.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.279 1.832 . . . . 0.0 114.157 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p -52.69 -34.2 50.97 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.512 1.925 . . . . 0.0 114.026 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -67.62 -52.82 33.79 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.857 0.753 . . . . 0.0 109.794 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -56.09 10.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.695 1.998 . . . . 0.0 112.706 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.51 -45.07 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.7 mm -73.99 -38.54 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.66 0.784 . . . . 0.0 111.615 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -53.45 -48.52 68.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.877 1.271 . . . . 0.0 109.241 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -58.74 -64.99 0.73 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.602 1.161 . . . . 0.0 109.891 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -47.82 -47.05 31.34 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -59.51 -47.88 83.8 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.143 0.977 . . . . 0.0 112.224 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -71.36 -34.73 70.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.325 . . . . 0.0 113.685 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.31 121.56 14.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.14 1.776 . . . . 0.0 113.538 -175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -133.61 29.92 3.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.777 2.831 . . . . 0.0 110.208 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.82 155.41 6.04 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 128.338 2.655 . . . . 0.0 114.072 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -59.6 -50.84 72.33 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 169.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -154.75 128.13 8.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.962 2.105 . . . . 0.0 111.197 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -129.17 142.05 43.87 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.92 -13.49 27.42 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.411 2.741 . . . . 0.0 116.938 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.22 -51.62 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.473 1.033 . . . . 0.0 110.505 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.1 m -52.01 -54.05 34.55 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.178 2.191 . . . . 0.0 113.364 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.65 -61.2 6.64 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 117.271 -1.347 . . . . 0.0 111.851 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.23 -43.82 52.41 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.152 1.901 . . . . 0.0 113.442 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.53 -51.59 69.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.163 0.892 . . . . 0.0 111.601 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -57.8 -48.64 79.14 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.625 1.57 . . . . 0.0 110.994 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.26 -48.52 73.88 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 111.628 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.6 79.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.909 0.884 . . . . 0.0 111.553 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 m -59.46 -45.92 90.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.61 113.94 5.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.024 1.73 . . . . 0.0 112.254 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -142.72 156.09 44.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.729 1.612 . . . . 0.0 112.196 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 128.619 2.768 . . . . 0.0 110.811 177.707 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.306 0.098 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.15 141.24 58.84 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.853 0.861 . . . . 0.0 111.308 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 33.8 tp -72.16 -39.07 68.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.15 -58.96 3.89 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.745 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 56.7 m -80.02 37.78 0.38 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.548 1.539 . . . . 0.0 112.797 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -53.62 -46.93 70.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.09 1.356 . . . . 0.0 111.619 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.9 mt -147.07 121.55 9.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.794 2.837 . . . . 0.0 107.349 174.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.63 -5.9 9.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.505 1.122 . . . . 0.0 112.053 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.18 -3.55 85.41 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.124 1.345 . . . . 0.0 112.947 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -31.56 -52.02 0.22 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.535 3.134 . . . . 0.0 114.294 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 14.3 m -125.98 -1.04 7.2 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.716 1.206 . . . . 0.0 113.559 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 26.4 mmt -61.18 -36.6 80.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.319 1.447 . . . . 0.0 111.433 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.29 -41.64 76.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.653 1.181 . . . . 0.0 111.395 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.51 -56.33 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.748 1.619 . . . . 0.0 111.756 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -159.4 -50.72 0.06 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.611 1.564 . . . . 0.0 112.585 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.3 -93.71 0.51 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 126.597 2.046 . . . . 0.0 111.045 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.05 123.52 83.44 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.52 0.728 . . . . 0.0 112.231 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.01 -167.54 0.43 Allowed 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.201 3.267 . . . . 0.0 112.145 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.05 62.46 1.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.824 1.649 . . . . 0.0 108.69 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.91 167.93 19.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.522 175.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 73.5 p -138.95 170.47 15.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.49 1.516 . . . . 0.0 109.516 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.2 p -57.62 -47.07 83.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.878 -0.514 . . . . 0.0 109.894 175.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.01 -56.73 12.5 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.088 1.355 . . . . 0.0 111.894 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.21 -49.31 69.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.811 0.844 . . . . 0.0 111.705 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 78.1 m -61.66 -49.47 76.39 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.368 1.067 . . . . 0.0 112.094 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.86 -49.92 69.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.208 1.403 . . . . 0.0 111.256 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.68 -50.4 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.156 1.783 . . . . 0.0 112.174 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -73.82 -39.88 63.76 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.01 79.14 33.38 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.446 1.498 . . . . 0.0 111.49 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.75 141.48 79.0 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.629 2.886 . . . . 0.0 113.965 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.26 141.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.991 1.316 . . . . 0.0 107.75 173.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -57.57 -53.29 59.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.067 0.849 . . . . 0.0 112.679 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.28 -166.65 38.56 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.809 1.195 . . . . 0.0 111.869 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 33.8 m -56.02 129.15 38.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.455 -1.027 . . . . 0.0 110.813 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -57.35 118.06 4.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.49 0.716 . . . . 0.0 111.159 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -152.2 128.94 10.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.531 1.532 . . . . 0.0 109.744 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.83 116.64 21.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.3 0.64 . . . . 0.0 110.578 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 136.32 54.34 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.095 2.558 . . . . 0.0 109.762 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -126.81 161.99 26.93 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.82 -136.81 3.73 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 128.007 2.718 . . . . 0.0 117.601 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.45 -36.94 55.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.902 1.281 . . . . 0.0 113.848 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.98 -30.77 62.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.732 0.813 . . . . 0.0 112.249 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.98 -60.58 3.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.56 -44.92 77.28 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.983 1.313 . . . . 0.0 111.552 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -57.12 -49.47 75.79 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.111 0.964 . . . . 0.0 111.092 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.33 85.8 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.498 1.119 . . . . 0.0 111.243 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 mt -59.97 -48.03 83.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.339 1.055 . . . . 0.0 112.435 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.03 -20.04 64.95 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -60.9 -24.8 66.27 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 9.6 t -62.94 122.27 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.422 -0.799 . . . . 0.0 112.747 179.419 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.651 0.262 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.2 134.64 10.85 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.891 1.676 . . . . 0.0 111.377 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -58.18 -36.12 98.12 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.39 2.727 . . . . 0.0 113.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.39 -56.84 13.04 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.692 1.133 . . . . 0.0 110.109 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -53.61 -41.78 67.0 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.386 174.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.33 -55.19 36.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.644 1.111 . . . . 0.0 111.347 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.06 -34.52 75.03 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 121.013 1.733 . . . . 0.0 113.538 177.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.51 -43.88 98.07 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.054 0.942 . . . . 0.0 110.338 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.0 -49.36 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.202 1.401 . . . . 0.0 109.535 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -50.24 -49.91 51.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.457 1.026 . . . . 0.0 110.639 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -56.29 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.992 1.317 . . . . 0.0 110.993 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -53.14 -43.35 66.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.333 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -57.67 10.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.415 1.486 . . . . 0.0 110.746 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.37 -47.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.033 0.933 . . . . 0.0 111.325 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.47 -47.53 79.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.305 0.642 . . . . 0.0 112.048 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 tp -62.07 -49.07 77.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.105 1.362 . . . . 0.0 112.489 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.61 -51.5 65.14 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.47 0.708 . . . . 0.0 110.187 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -58.1 -46.28 85.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.122 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.22 13.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.715 1.606 . . . . 0.0 113.684 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -71.17 -51.14 26.5 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.479 -0.763 . . . . 0.0 110.477 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -51.21 -45.3 61.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.589 1.155 . . . . 0.0 113.013 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.5 t -45.8 -49.32 15.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 129.016 2.926 . . . . 0.0 112.178 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -57.08 -49.85 74.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 111.038 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -64.87 -43.52 92.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.084 0.953 . . . . 0.0 111.823 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -57.12 -47.74 80.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.011 2.124 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.97 -50.14 64.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.973 1.309 . . . . 0.0 110.704 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -62.12 -42.77 99.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.02 0.928 . . . . 0.0 112.006 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.83 -60.74 3.06 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.147 1.379 . . . . 0.0 112.803 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -153.27 131.34 11.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.455 1.502 . . . . 0.0 112.926 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -161.5 136.3 4.35 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.735 2.112 . . . . 0.0 109.782 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -137.35 -101.5 0.19 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.813 0.845 . . . . 0.0 110.749 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.79 -41.21 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.54 1.136 . . . . 0.0 109.876 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -142.72 164.1 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.49 2.316 . . . . 0.0 110.194 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.1 -65.61 0.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.342 1.857 . . . . 0.0 109.206 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.89 153.37 30.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.069 1.747 . . . . 0.0 112.044 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 m -132.33 -13.25 3.07 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.043 1.737 . . . . 0.0 113.754 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.16 123.47 89.41 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.556 1.142 . . . . 0.0 109.884 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.78 -51.87 0.61 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.123 1.882 . . . . 0.0 111.521 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -69.92 -9.51 55.25 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.418 1.887 . . . . 0.0 115.996 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.46 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 10.3 t -57.09 -47.01 82.08 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.062 1.345 . . . . 0.0 109.544 172.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -44.79 79.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.078 1.751 . . . . 0.0 111.517 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.6 m -58.58 -50.36 74.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.848 0.859 . . . . 0.0 110.064 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.3 mmt -57.76 -37.49 73.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.34 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 59.9 mttp -60.98 -43.77 98.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.804 1.638 . . . . 0.0 111.873 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -60.23 -46.58 89.3 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.512 0.725 . . . . 0.0 110.222 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.64 -52.75 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.773 1.629 . . . . 0.0 110.284 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.33 -51.43 34.42 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 128.622 2.769 . . . . 0.0 111.838 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -53.57 -54.84 31.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.38 -49.36 74.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.879 0.471 . . . . 0.0 110.336 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -48.63 15.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.463 1.905 . . . . 0.0 113.63 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -41.21 94.46 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -68.48 -39.86 81.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.909 0.884 . . . . 0.0 112.276 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.9 t -60.18 139.62 57.43 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.237 1.815 . . . . 0.0 111.466 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -131.41 11.15 4.9 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.235 1.814 . . . . 0.0 111.985 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.03 161.64 15.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.388 1.075 . . . . 0.0 111.242 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.11 -117.18 2.8 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.77 -18.53 62.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.843 1.257 . . . . 0.0 113.053 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.09 73.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.794 2.038 . . . . 0.0 116.109 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.2 t -61.5 115.03 3.58 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.877 0.762 . . . . 0.0 110.404 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.45 -22.94 63.61 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.76 1.224 . . . . 0.0 113.7 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.97 114.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.903 1.281 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.5 -59.19 3.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.891 1.677 . . . . 0.0 112.103 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -54.34 -45.34 72.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.102 1.361 . . . . 0.0 113.174 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.11 -56.81 17.17 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.704 1.138 . . . . 0.0 110.705 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -52.12 55.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.926 1.29 . . . . 0.0 112.73 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 p -66.0 -52.35 50.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.684 0.793 . . . . 0.0 112.991 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -53.22 -43.88 67.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.802 1.241 . . . . 0.0 113.472 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -58.19 -47.07 84.58 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.995 -1.065 . . . . 0.0 110.567 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -55.01 37.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.442 1.497 . . . . 0.0 113.085 177.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.5 pt -53.5 -45.94 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.592 1.087 . . . . 0.0 112.72 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.1 mm -66.73 -40.97 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.263 0.483 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.81 -50.08 64.36 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.734 0.814 . . . . 0.0 110.369 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -59.65 -61.53 2.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 110.609 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -52.76 -42.32 64.86 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.76 -44.84 95.13 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.728 1.211 . . . . 0.0 112.171 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -74.11 -48.52 29.04 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.233 1.413 . . . . 0.0 113.57 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.23 122.19 15.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.612 1.565 . . . . 0.0 113.099 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.1 p -134.74 21.22 3.57 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.769 2.028 . . . . 0.0 111.119 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -60.19 150.99 28.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.706 2.002 . . . . 0.0 112.858 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -56.35 -32.35 64.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.395 1.078 . . . . 0.0 112.145 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.91 134.47 15.4 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.538 1.535 . . . . 0.0 112.136 172.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.45 142.67 16.55 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 128.118 2.567 . . . . 0.0 104.461 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.86 0.48 1.54 Allowed 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.822 3.015 . . . . 0.0 117.164 -174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.4 -49.63 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 119.927 1.239 . . . . 0.0 110.403 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.6 m -52.45 -52.93 51.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.483 1.913 . . . . 0.0 112.055 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.9 -62.34 3.53 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 116.735 -1.603 . . . . 0.0 113.506 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -57.04 -33.78 96.37 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.349 2.032 . . . . 0.0 114.075 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.05 -46.68 64.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.503 1.121 . . . . 0.0 111.578 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -60.25 -55.24 36.17 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.293 1.837 . . . . 0.0 110.893 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -137.6 102.29 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.91 2.084 . . . . 0.0 110.825 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.66 84.69 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.593 0.757 . . . . 0.0 112.058 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.6 m -77.29 64.42 2.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.926 1.69 . . . . 0.0 112.206 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.19 -32.13 73.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.827 1.651 . . . . 0.0 110.69 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -125.85 161.33 27.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.109 2.563 . . . . 0.0 110.698 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.632 1.973 . . . . 0.0 111.655 -179.603 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.677 0.275 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -147.19 150.38 34.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.145 1.778 . . . . 0.0 110.727 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.53 -91.68 0.09 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.152 1.781 . . . . 0.0 106.896 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 25.33 65.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 128.134 2.574 . . . . 0.0 113.797 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.0 m 54.91 65.95 1.37 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.412 1.885 . . . . 0.0 111.89 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.14 136.6 1.53 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.456 1.903 . . . . 0.0 113.915 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 52.1 mt 53.7 71.7 0.49 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.441 1.897 . . . . 0.0 112.522 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.84 -31.63 71.05 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.779 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -37.24 -40.27 0.57 Allowed Glycine 0 CA--C 1.533 1.182 0 C-N-CA 128.475 2.94 . . . . 0.0 113.539 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -41.66 -53.4 3.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.282 2.233 . . . . 0.0 112.629 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -91.56 -34.74 14.63 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.698 1.999 . . . . 0.0 112.784 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 94.5 mtp -58.31 -37.15 74.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.766 0.827 . . . . 0.0 111.351 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.68 -44.15 93.74 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.586 1.555 . . . . 0.0 112.149 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.01 -50.64 54.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.501 1.52 . . . . 0.0 114.272 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -123.63 -11.73 7.74 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.54 -100.93 0.93 Allowed Glycine 0 N--CA 1.47 0.96 0 CA-C-N 120.23 1.377 . . . . 0.0 110.112 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.28 130.61 22.66 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 108.112 171.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -82.15 -173.02 1.6 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.512 2.808 . . . . 0.0 111.861 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -122.85 60.12 1.04 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.647 1.579 . . . . 0.0 108.284 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.01 156.63 35.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.044 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 72.9 p -128.2 170.45 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.304 1.042 . . . . 0.0 110.76 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -55.67 -49.89 71.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 109.254 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -52.34 -56.5 14.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.961 1.304 . . . . 0.0 112.29 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -54.46 -49.55 69.79 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.374 0.67 . . . . 0.0 111.718 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.4 m -62.84 -46.9 85.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.337 1.055 . . . . 0.0 112.2 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.13 -49.35 72.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.161 1.384 . . . . 0.0 111.295 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.85 -51.06 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.296 1.839 . . . . 0.0 112.298 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -76.4 -33.8 58.85 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -142.19 77.71 17.69 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 125.225 1.41 . . . . 0.0 112.183 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.43 131.59 45.56 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.924 3.083 . . . . 0.0 113.972 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 17.4 mt -63.13 129.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.326 1.05 . . . . 0.0 108.725 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.67 142.6 58.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.549 0.69 . . . . 0.0 111.738 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 86.62 -86.83 1.55 Allowed Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.255 0.931 . . . . 0.0 111.033 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 58.2 m -141.41 136.55 31.49 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.012 1.725 . . . . 0.0 110.772 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 66.2 mtm-85 -74.71 123.26 24.6 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.579 . . . . 0.0 112.1 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -153.1 135.9 15.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.611 2.364 . . . . 0.0 109.881 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.31 108.36 18.38 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.697 0.68 . . . . 0.0 111.649 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.87 130.67 47.92 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.711 2.805 . . . . 0.0 109.28 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -136.95 163.41 30.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.019 1.327 . . . . 0.0 113.891 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.95 -141.35 36.95 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 127.146 2.308 . . . . 0.0 116.608 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.12 -40.49 32.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.386 1.475 . . . . 0.0 114.35 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -55.11 -30.12 59.07 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.925 0.89 . . . . 0.0 112.748 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -57.66 -62.1 2.04 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.02 0.928 . . . . 0.0 109.195 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.99 -43.68 73.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.314 1.046 . . . . 0.0 111.479 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -57.77 -49.33 76.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.997 0.919 . . . . 0.0 111.032 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.3 88.97 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.06 -43.84 77.71 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.505 1.122 . . . . 0.0 112.62 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.44 -31.7 69.53 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.54 -18.18 17.83 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.51 -60.71 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 112.062 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.27 0.4 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.422 2.689 . . . . 0.0 115.034 -176.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.388 0.137 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -147.8 140.4 14.67 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.465 1.506 . . . . 0.0 111.661 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.31 -38.27 91.46 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.027 2.484 . . . . 0.0 114.024 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -40.75 95.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.105 1.32 . . . . 0.0 111.706 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.61 -39.77 81.39 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.47 -0.769 . . . . 0.0 109.653 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -58.85 -50.19 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -51.56 -52.25 48.78 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.735 1.214 . . . . 0.0 111.198 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -56.34 -48.44 76.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.417 1.487 . . . . 0.0 111.928 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.18 -52.63 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.804 1.241 . . . . 0.0 109.85 176.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.48 -57.78 5.62 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.084 1.754 . . . . 0.0 112.372 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -57.62 -50.12 74.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.522 0.601 . . . . 0.0 111.983 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.18 -39.48 79.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.331 0.969 . . . . 0.0 113.111 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.42 -51.61 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 109.079 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.52 -51.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.437 1.095 . . . . 0.0 111.285 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.54 -46.39 80.68 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.92 0.888 . . . . 0.0 113.184 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.17 -45.86 91.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.977 0.911 . . . . 0.0 111.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.65 -47.94 80.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.436 0.694 . . . . 0.0 110.147 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.35 -52.0 64.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.144 0.978 . . . . 0.0 110.834 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.0 -43.88 4.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.31 1.844 . . . . 0.0 114.737 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -75.56 -48.15 23.65 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.59 -0.694 . . . . 0.0 111.724 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -57.32 -37.56 72.68 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.051 0.842 . . . . 0.0 112.874 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 t -56.79 -60.61 3.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 128.041 2.537 . . . . 0.0 111.546 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -60.11 -40.15 88.67 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.227 -0.92 . . . . 0.0 111.747 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -56.07 -53.06 61.48 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.34 1.056 . . . . 0.0 110.902 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -53.6 -49.02 68.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.907 2.483 . . . . 0.0 111.234 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.46 -51.79 68.01 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.332 1.453 . . . . 0.0 111.811 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.49 -49.72 72.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.863 1.265 . . . . 0.0 112.499 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.2 95.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.201 1.8 . . . . 0.0 113.502 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -136.47 -67.83 0.5 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.839 1.256 . . . . 0.0 112.602 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.76 0.98 Allowed Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.618 1.104 . . . . 0.0 112.133 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.48 173.74 11.2 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.159 1.384 . . . . 0.0 113.06 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.04 -44.87 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.088 1.755 . . . . 0.0 112.499 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -122.63 73.16 1.11 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.525 1.53 . . . . 0.0 111.417 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.47 -54.37 7.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.375 1.07 . . . . 0.0 109.781 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.09 177.48 8.91 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.095 1.758 . . . . 0.0 111.722 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 m -135.38 -50.11 0.73 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.638 1.575 . . . . 0.0 114.377 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -122.88 130.65 24.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.809 1.644 . . . . 0.0 111.696 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.72 -36.89 20.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.987 3.125 . . . . 0.0 114.5 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -55.61 -22.42 22.33 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.121 2.169 . . . . 0.0 114.18 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -53.93 -47.68 70.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.913 1.685 . . . . 0.0 110.201 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -39.71 68.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.081 1.352 . . . . 0.0 112.263 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -61.04 -52.15 66.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.703 0.801 . . . . 0.0 109.303 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.8 mmt -58.32 -38.37 76.98 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.356 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.18 -45.2 93.93 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.639 1.563 . . . . 0.0 111.61 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -59.45 -46.48 88.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.591 0.756 . . . . 0.0 110.193 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.0 -53.21 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.582 1.553 . . . . 0.0 110.569 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.38 -52.01 41.07 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.858 2.863 . . . . 0.0 111.639 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.73 -45.56 77.95 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.057 1.343 . . . . 0.0 111.881 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.42 -51.4 63.36 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.663 -0.648 . . . . 0.0 110.293 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.98 -49.57 5.98 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 128.265 2.626 . . . . 0.0 114.893 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 p -61.78 -50.74 71.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.871 0.868 . . . . 0.0 112.221 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -67.65 -42.82 81.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.962 1.705 . . . . 0.0 113.199 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.1 143.78 47.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.362 1.865 . . . . 0.0 112.547 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -130.58 -2.22 4.3 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.429 1.892 . . . . 0.0 113.09 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.63 65.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.13 1.372 . . . . 0.0 113.741 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.53 -99.79 0.11 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.375 1.464 . . . . 0.0 113.539 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -56.11 -42.37 76.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.637 1.575 . . . . 0.0 111.617 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 -16.9 58.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.985 1.714 . . . . 0.0 114.666 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.24 122.84 18.74 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.348 0.976 . . . . 0.0 111.249 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -68.67 -26.7 65.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.96 1.304 . . . . 0.0 113.303 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.21 116.66 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.925 1.29 . . . . 0.0 111.195 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.54 9.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.152 1.781 . . . . 0.0 112.514 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -58.34 -39.73 80.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.176 1.791 . . . . 0.0 113.803 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.2 t -59.29 -60.03 4.51 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.035 1.334 . . . . 0.0 110.013 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.95 61.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.617 1.167 . . . . 0.0 112.085 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.7 m -62.4 -59.19 5.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.599 1.56 . . . . 0.0 112.878 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -54.9 -42.96 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.827 1.651 . . . . 0.0 112.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -54.84 -48.78 72.43 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.365 -0.835 . . . . 0.0 110.424 173.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -55.58 33.29 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.943 1.697 . . . . 0.0 113.071 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -45.53 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.201 0.909 . . . . 0.0 112.462 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.62 -40.95 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.548 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -52.74 -50.96 62.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.374 0.67 . . . . 0.0 110.049 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.36 -61.84 2.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.206 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -48.94 -44.43 40.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -66.44 -49.83 65.4 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.453 1.101 . . . . 0.0 112.235 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.35 -39.87 92.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.034 1.333 . . . . 0.0 113.662 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.3 t -60.72 115.71 3.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.976 1.711 . . . . 0.0 112.843 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -130.65 19.49 5.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.476 2.31 . . . . 0.0 111.236 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -62.35 154.03 29.25 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.743 2.817 . . . . 0.0 112.148 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -49.72 -52.21 33.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.986 1.314 . . . . 0.0 110.45 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.66 137.25 16.86 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.352 1.461 . . . . 0.0 112.712 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.28 141.2 38.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.787 2.835 . . . . 0.0 105.14 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.72 -10.25 13.73 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.944 3.096 . . . . 0.0 117.185 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.2 t -128.16 -49.04 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 120.048 1.294 . . . . 0.0 111.509 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.3 m -54.88 -58.59 6.99 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.802 1.641 . . . . 0.0 112.55 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.86 -58.66 9.49 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.675 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -54.11 -44.01 53.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 122.527 1.938 . . . . 0.0 113.482 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.85 -48.51 81.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.82 1.248 . . . . 0.0 112.32 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -62.84 -49.74 73.72 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.856 1.263 . . . . 0.0 111.696 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.48 -43.45 88.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.048 1.739 . . . . 0.0 112.782 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.91 94.91 0.05 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.781 1.633 . . . . 0.0 112.617 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -162.36 151.52 15.47 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.076 2.15 . . . . 0.0 111.255 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.16 83.84 2.05 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.066 1.747 . . . . 0.0 108.367 176.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -130.28 113.34 14.28 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.491 1.916 . . . . 0.0 110.688 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.868 2.067 . . . . 0.0 111.731 -179.489 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.518 0.199 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.27 145.78 55.78 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.563 1.145 . . . . 0.0 111.752 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 tp -66.43 -50.44 63.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.369 1.067 . . . . 0.0 113.512 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.46 25.4 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.428 0.691 . . . . 0.0 110.666 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 70.1 m -81.53 32.74 0.35 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.375 1.47 . . . . 0.0 112.986 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -47.16 -53.08 13.87 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.385 2.274 . . . . 0.0 113.69 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.6 74.45 1.45 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.652 1.981 . . . . 0.0 109.947 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.8 67.18 6.6 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.016 1.389 . . . . 0.0 108.627 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.88 22.47 0.02 OUTLIER Glycine 0 CA--C 1.538 1.469 0 C-N-CA 126.95 2.214 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -55.34 -55.27 33.47 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.134 1.467 . . . . 0.0 112.151 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 66.2 m -127.89 8.81 6.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.342 1.457 . . . . 0.0 112.489 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 47.4 mtp -66.41 -34.08 77.14 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.13 -44.31 69.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.315 1.446 . . . . 0.0 111.188 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.31 -49.41 69.58 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.362 1.865 . . . . 0.0 113.561 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.6 m -133.08 -42.31 0.89 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 114.638 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.09 -95.13 0.72 Allowed Glycine 0 N--CA 1.473 1.123 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.1 130.88 23.85 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.272 1.829 . . . . 0.0 108.473 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.43 -172.57 1.17 Allowed 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.985 3.123 . . . . 0.0 113.231 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.86 62.77 1.06 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.412 1.885 . . . . 0.0 108.364 171.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.43 169.71 11.9 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.495 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -140.15 169.83 16.97 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.105 0.962 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p -52.39 -50.29 62.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.84 1.256 . . . . 0.0 109.958 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -52.49 -61.97 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.534 1.533 . . . . 0.0 112.073 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -52.7 35.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.579 1.152 . . . . 0.0 111.962 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.23 -50.26 73.81 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.327 1.051 . . . . 0.0 112.424 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.39 -43.84 88.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.91 1.284 . . . . 0.0 111.916 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -59.63 -49.03 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.678 1.591 . . . . 0.0 111.549 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -74.76 -39.61 61.7 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -134.94 77.69 55.97 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.867 1.267 . . . . 0.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.33 125.44 19.17 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.023 3.149 . . . . 0.0 114.181 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.99 124.06 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.231 1.413 . . . . 0.0 108.688 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -59.61 138.74 57.63 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.695 0.759 . . . . 0.0 112.685 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 88.5 -78.91 1.7 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.874 1.226 . . . . 0.0 110.69 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 66.6 m -147.36 155.45 41.99 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.824 2.05 . . . . 0.0 111.21 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -65.45 142.44 58.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.964 0.905 . . . . 0.0 110.749 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -150.03 169.12 21.97 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.678 1.991 . . . . 0.0 110.867 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 30.2 mt -141.88 79.74 1.69 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.098 2.159 . . . . 0.0 107.74 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.39 132.95 10.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.098 2.559 . . . . 0.0 109.553 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 165.61 26.98 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.46 -145.66 27.12 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.472 1.987 . . . . 0.0 116.159 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.93 -33.8 57.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -57.29 -27.09 61.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.92 0.888 . . . . 0.0 112.433 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -62.11 2.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 108.532 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.44 -42.92 71.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.254 1.422 . . . . 0.0 110.844 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -55.92 -50.67 70.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.438 1.495 . . . . 0.0 110.947 173.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.21 94.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.5 1.12 . . . . 0.0 111.968 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.51 -38.84 91.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.713 1.205 . . . . 0.0 112.458 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.37 -32.14 73.62 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -56.66 -14.98 3.69 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.99 -39.91 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.315 1.846 . . . . 0.0 112.597 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.155 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -141.33 137.36 16.55 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.493 1.917 . . . . 0.0 110.415 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -58.67 -42.69 51.39 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.956 2.437 . . . . 0.0 113.412 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.36 -41.51 98.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.515 1.052 . . . . 0.0 111.857 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.81 -37.6 74.07 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.091 0.859 . . . . 0.0 110.808 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.43 -45.1 88.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.987 0.812 . . . . 0.0 110.553 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -55.45 -47.22 76.37 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.702 1.201 . . . . 0.0 111.197 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.83 -47.19 85.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.675 1.59 . . . . 0.0 111.15 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -59.41 -52.45 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.082 1.353 . . . . 0.0 110.027 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -46.73 -56.81 5.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.541 1.937 . . . . 0.0 112.477 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.52 -49.23 75.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.873 0.76 . . . . 0.0 112.385 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.76 -35.52 76.63 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.104 0.865 . . . . 0.0 112.778 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.01 -55.52 31.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.551 1.541 . . . . 0.0 108.626 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.93 -46.46 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.594 1.558 . . . . 0.0 111.89 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -57.52 -51.31 69.97 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.459 1.027 . . . . 0.0 112.127 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.43 -42.56 82.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.211 1.405 . . . . 0.0 111.997 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.33 -50.1 74.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.076 0.95 . . . . 0.0 110.682 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -54.13 -49.93 68.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.232 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.14 -55.04 2.73 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.663 1.585 . . . . 0.0 113.602 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.59 -39.26 64.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.143 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -53.53 -49.99 66.42 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.535 1.516 . . . . 0.0 110.167 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.3 t -57.48 -52.14 66.59 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.956 2.902 . . . . 0.0 110.637 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -56.01 -51.07 69.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.19 0.996 . . . . 0.0 111.708 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -53.33 -51.42 62.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.265 1.826 . . . . 0.0 110.507 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -55.18 -53.02 61.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.898 1.279 . . . . 0.0 110.848 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -54.95 -48.65 72.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.489 1.516 . . . . 0.0 112.116 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -58.92 -47.47 84.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.787 1.235 . . . . 0.0 111.521 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.77 -51.88 66.51 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.885 1.274 . . . . 0.0 111.982 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -145.85 114.15 6.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.266 1.826 . . . . 0.0 111.117 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.56 124.69 27.41 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.003 0.811 . . . . 0.0 112.59 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -142.71 140.37 31.48 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.812 1.645 . . . . 0.0 110.434 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -81.16 -59.08 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.369 1.468 . . . . 0.0 109.973 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.8 80.75 8.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.997 1.319 . . . . 0.0 110.211 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.33 -62.29 0.75 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 110.875 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.9 t -66.93 158.33 31.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.394 1.477 . . . . 0.0 112.352 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.2 p -135.5 -58.0 0.78 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.444 1.898 . . . . 0.0 112.836 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 mt -57.88 126.65 77.34 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.659 1.984 . . . . 0.0 111.767 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -66.07 -45.04 6.36 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.791 2.327 . . . . 0.0 112.521 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.76 -1.87 15.53 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.7 t -53.0 -46.55 68.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.028 0.931 . . . . 0.0 109.473 172.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -53.3 -47.39 69.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.794 1.638 . . . . 0.0 111.546 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -57.56 -52.64 64.59 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.438 1.095 . . . . 0.0 110.034 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.9 mmt -59.74 -40.82 89.35 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.483 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -57.8 -44.2 86.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.461 1.482 . . . . 0.0 111.386 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -61.28 -48.95 79.05 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.872 0.869 . . . . 0.0 110.401 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.0 t -55.31 -56.02 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.579 1.552 . . . . 0.0 110.273 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.03 -55.87 9.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.442 3.097 . . . . 0.0 111.941 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -51.11 -56.58 11.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.402 1.081 . . . . 0.0 110.786 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.32 -47.53 78.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.951 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -49.63 15.0 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.592 1.957 . . . . 0.0 112.918 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -45.3 94.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.825 0.85 . . . . 0.0 112.958 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -71.08 -45.53 63.56 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.424 1.09 . . . . 0.0 112.681 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.74 106.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.756 2.423 . . . . 0.0 111.902 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.69 -16.58 60.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.875 1.27 . . . . 0.0 113.883 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.53 -177.72 2.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.151 1.38 . . . . 0.0 112.722 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.26 -109.32 1.75 Allowed Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.706 1.622 . . . . 0.0 110.462 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.28 67.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.65 0.78 . . . . 0.0 112.829 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.38 71.35 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.96 121.38 11.67 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.653 1.115 . . . . 0.0 110.228 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.07 -23.91 67.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.168 1.387 . . . . 0.0 114.444 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 115.96 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.954 1.302 . . . . 0.0 109.648 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.09 -55.93 4.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.519 1.927 . . . . 0.0 113.637 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -63.78 -45.97 87.34 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.854 1.262 . . . . 0.0 113.35 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.13 -49.7 73.18 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.751 1.221 . . . . 0.0 110.758 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.65 -60.53 3.31 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.13 0.972 . . . . 0.0 110.306 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.7 m -55.85 -52.67 63.23 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.525 2.33 . . . . 0.0 115.545 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 p -51.78 -33.11 33.81 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.318 1.847 . . . . 0.0 115.149 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -58.9 -54.36 48.02 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.237 -0.914 . . . . 0.0 111.501 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -51.02 66.31 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.388 0.994 . . . . 0.0 113.102 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -52.53 -43.37 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.24 0.927 . . . . 0.0 112.958 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.82 -42.27 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.653 0.781 . . . . 0.0 111.454 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 m -52.94 -48.3 67.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.443 1.097 . . . . 0.0 110.527 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.63 -63.31 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 109.601 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -49.92 -45.24 50.87 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -64.17 -44.13 93.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.01 -42.48 63.19 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.766 1.226 . . . . 0.0 113.466 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 128.67 38.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.898 1.679 . . . . 0.0 113.649 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -135.1 14.96 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.203 2.201 . . . . 0.0 111.228 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -62.62 135.31 57.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.263 2.225 . . . . 0.0 111.059 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -53.51 -39.0 64.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.816 1.646 . . . . 0.0 114.636 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -141.27 45.89 1.74 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.24 137.53 97.15 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -58.8 -15.39 26.33 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.029 3.153 . . . . 0.0 116.618 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 -51.66 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.606 1.093 . . . . 0.0 110.914 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 m -53.92 -49.42 68.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.312 1.845 . . . . 0.0 113.127 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.58 -62.36 4.64 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 116.942 -1.504 . . . . 0.0 112.487 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -57.33 -35.01 98.86 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.406 2.071 . . . . 0.0 113.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.3 -49.67 66.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.857 0.863 . . . . 0.0 111.578 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -60.91 -54.58 43.34 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.522 1.529 . . . . 0.0 111.536 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -134.22 101.14 4.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.472 1.909 . . . . 0.0 110.299 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.47 120.4 14.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.869 0.468 . . . . 0.0 110.613 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 m -56.01 118.31 4.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.429 1.492 . . . . 0.0 112.165 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.17 -38.13 89.93 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.556 0.742 . . . . 0.0 112.433 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -54.37 107.21 0.26 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.069 1.348 . . . . 0.0 110.975 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.329 1.852 . . . . 0.0 112.744 -178.08 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.503 0.192 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -144.96 128.01 16.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.633 1.573 . . . . 0.0 110.394 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.535 ' HG ' ' H ' ' B' ' 102' ' ' ALA . 12.8 tp -148.47 -157.0 0.77 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.665 1.586 . . . . 0.0 110.456 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.535 ' H ' ' HG ' ' B' ' 101' ' ' LEU . . . 57.61 -103.11 0.17 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.664 1.986 . . . . 0.0 108.388 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 95.9 m -87.42 71.76 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -50.19 123.05 7.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.992 1.317 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 75.7 mt 52.22 73.04 0.36 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.314 1.846 . . . . 0.0 110.909 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.07 -44.96 7.81 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.978 1.311 . . . . 0.0 112.396 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -37.05 -41.67 0.68 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 127.386 2.422 . . . . 0.0 114.513 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -44.82 -63.42 0.92 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.64 1.976 . . . . 0.0 112.327 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 50.1 m -79.03 -42.25 26.95 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.435 1.894 . . . . 0.0 112.022 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 86.4 mmm -51.73 -37.79 52.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.148 1.379 . . . . 0.0 112.792 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -55.98 -46.29 78.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.453 1.501 . . . . 0.0 112.575 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.47 -60.13 2.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.769 1.628 . . . . 0.0 112.305 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 33.6 m -66.23 -41.85 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 115.63 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.63 -112.23 4.81 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 -170.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -130.19 119.85 18.87 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.226 1.41 . . . . 0.0 108.36 170.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.21 174.13 13.34 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.245 2.63 . . . . 0.0 112.402 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -112.29 64.83 0.63 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.85 1.26 . . . . 0.0 108.728 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.19 167.46 16.18 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.764 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -136.99 170.04 16.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.342 1.057 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.0 p -52.63 -53.91 40.5 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.391 1.077 . . . . 0.0 109.689 173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -51.07 -57.29 9.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.647 1.579 . . . . 0.0 111.994 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -52.66 -51.09 61.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.642 0.656 . . . . 0.0 112.152 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.12 -49.11 77.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.738 0.815 . . . . 0.0 112.231 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.68 -41.57 73.91 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.195 1.398 . . . . 0.0 112.191 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 14.3 t -71.14 -52.72 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.857 2.063 . . . . 0.0 112.396 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -77.22 -31.19 55.0 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -174.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.34 70.44 67.93 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 124.593 1.157 . . . . 0.0 111.668 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.38 132.72 53.86 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.754 2.969 . . . . 0.0 113.557 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.5 mt -69.03 132.47 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.789 1.235 . . . . 0.0 108.927 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -59.9 140.09 56.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.201 0.6 . . . . 0.0 112.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 88.16 -82.78 1.53 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.686 1.136 . . . . 0.0 110.386 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 41.2 m -148.26 147.48 29.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.224 1.81 . . . . 0.0 110.819 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 79.9 mtt85 -66.62 116.08 7.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.559 0.744 . . . . 0.0 110.164 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -150.6 125.92 10.06 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.417 1.887 . . . . 0.0 109.065 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 36.3 mt -89.58 119.97 30.47 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 132.83 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 129.172 2.989 . . . . 0.0 109.276 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -131.1 163.61 27.28 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 47.45 -140.12 8.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.184 2.326 . . . . 0.0 116.404 174.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -55.84 -30.71 61.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.55 -31.34 62.06 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 118.278 -0.868 . . . . 0.0 112.064 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.57 -61.98 2.19 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.658 1.183 . . . . 0.0 107.831 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.7 -47.52 70.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.206 1.403 . . . . 0.0 111.301 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -54.3 -45.88 72.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.955 1.302 . . . . 0.0 111.23 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.15 65.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.43 1.092 . . . . 0.0 111.045 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.17 -43.38 82.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.061 0.944 . . . . 0.0 112.441 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.34 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.928 1.691 . . . . 0.0 115.107 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.18 -21.67 66.65 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.39 115.02 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.663 1.185 . . . . 0.0 109.604 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.83 1.252 . . . . 0.0 113.29 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.748 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -142.29 134.3 13.42 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.439 1.896 . . . . 0.0 110.637 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -61.09 -44.94 21.47 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.269 2.646 . . . . 0.0 113.669 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.64 -40.7 95.91 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.131 1.332 . . . . 0.0 111.519 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.75 -36.14 73.87 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.155 -0.966 . . . . 0.0 110.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -46.11 89.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.454 1.102 . . . . 0.0 109.902 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -56.0 -48.38 76.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.261 1.424 . . . . 0.0 111.007 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -57.43 -44.22 84.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.389 1.076 . . . . 0.0 110.858 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.81 -49.26 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.086 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -51.49 -52.23 48.43 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.669 1.122 . . . . 0.0 111.023 176.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -52.56 -59.52 4.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.802 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -57.59 -38.82 75.54 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -55.4 34.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.24 1.416 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.31 -51.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.182 1.393 . . . . 0.0 112.169 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.1 mt -56.13 -46.9 79.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.34 0.973 . . . . 0.0 112.253 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.36 -46.57 89.65 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.679 1.192 . . . . 0.0 112.689 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.5 -53.53 57.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.578 1.151 . . . . 0.0 110.306 176.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -54.64 -50.67 67.59 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 110.56 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -60.23 1.86 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.713 1.605 . . . . 0.0 113.245 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.33 -42.84 99.34 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.34 -0.85 . . . . 0.0 112.341 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -56.87 -43.45 81.23 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.296 1.038 . . . . 0.0 111.494 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t -66.93 -32.21 73.3 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.013 2.925 . . . . 0.0 112.556 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -53.15 -47.57 68.63 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.147 1.34 . . . . 0.0 110.366 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.98 -47.34 86.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.695 1.198 . . . . 0.0 110.776 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -54.42 -61.48 2.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.333 1.453 . . . . 0.0 111.847 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.01 -44.73 94.37 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -34.36 78.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.159 0.89 . . . . 0.0 112.199 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.74 12.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -149.65 115.93 5.76 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.596 1.558 . . . . 0.0 111.16 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.81 -177.43 48.11 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.092 0.853 . . . . 0.0 113.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -123.86 -170.21 2.09 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.659 1.984 . . . . 0.0 111.012 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.84 -41.02 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.791 1.637 . . . . 0.0 111.498 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -132.22 72.95 1.51 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.851 1.66 . . . . 0.0 108.907 175.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.01 -57.31 13.09 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.808 1.643 . . . . 0.0 112.979 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -71.89 146.11 48.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.165 1.386 . . . . 0.0 112.341 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -67.28 -41.1 86.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.068 1.347 . . . . 0.0 112.974 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.11 120.04 79.34 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.267 1.027 . . . . 0.0 110.109 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.09 -33.52 40.63 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.905 1.737 . . . . 0.0 110.393 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.39 -25.4 65.87 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.806 2.442 . . . . 0.0 113.77 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.78 -47.98 70.22 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.416 1.486 . . . . 0.0 109.518 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -57.69 -38.23 74.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.591 1.556 . . . . 0.0 112.543 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -62.47 -52.91 61.65 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.665 0.786 . . . . 0.0 109.524 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -39.03 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.541 0.609 . . . . 0.0 111.525 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -62.04 -44.2 97.21 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.801 1.241 . . . . 0.0 112.054 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -60.77 -49.01 79.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.801 0.84 . . . . 0.0 110.066 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.3 t -53.42 -54.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.933 1.693 . . . . 0.0 109.902 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.49 -55.29 16.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.279 2.632 . . . . 0.0 112.315 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -55.06 -43.02 73.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.637 1.175 . . . . 0.0 111.975 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -68.08 -48.22 66.13 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.303 0.641 . . . . 0.0 110.711 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -48.86 7.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.569 2.748 . . . . 0.0 114.845 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -61.05 -48.77 80.22 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 112.244 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -69.81 -50.85 38.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.023 1.729 . . . . 0.0 112.323 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.72 134.47 54.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.69 1.996 . . . . 0.0 112.213 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -117.19 -5.6 11.35 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.62 1.568 . . . . 0.0 112.593 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.66 60.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.706 1.603 . . . . 0.0 112.916 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.16 -99.43 0.11 Allowed Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.116 1.341 . . . . 0.0 113.191 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.56 -40.49 75.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 111.813 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.94 -17.51 58.85 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.549 1.54 . . . . 0.0 114.735 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.6 134.97 52.17 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.397 0.998 . . . . 0.0 111.055 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.6 -35.0 79.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.97 124.49 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.457 1.503 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.04 -62.02 2.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.304 1.042 . . . . 0.0 112.233 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -47.76 -37.43 13.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.665 2.386 . . . . 0.0 114.307 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.2 t -55.51 -48.94 73.84 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.054 2.142 . . . . 0.0 111.44 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.99 66.09 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.288 -0.882 . . . . 0.0 111.249 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -60.41 3.31 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.148 1.379 . . . . 0.0 112.22 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 p -50.61 -42.27 55.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.659 1.984 . . . . 0.0 114.415 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -61.86 -49.98 74.08 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.195 -0.941 . . . . 0.0 110.989 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -54.44 39.19 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.607 1.963 . . . . 0.0 112.665 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.53 -41.36 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.82 -41.34 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.897 0.771 . . . . 0.0 111.209 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -51.69 -47.1 64.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.908 0.776 . . . . 0.0 110.14 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -56.51 -65.86 0.54 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.617 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -51.36 -43.14 61.76 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -61.11 -52.16 66.06 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.375 1.07 . . . . 0.0 112.27 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.63 -40.21 63.93 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.164 1.386 . . . . 0.0 114.148 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 40.1 t -55.14 123.5 13.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.748 1.619 . . . . 0.0 111.952 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -124.35 13.83 8.9 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.926 1.69 . . . . 0.0 111.97 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -66.96 122.62 18.13 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.086 1.755 . . . . 0.0 109.665 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -69.77 1.51 4.25 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -147.15 20.01 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.0 137.15 93.93 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 119.835 1.198 . . . . 0.0 108.79 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -54.51 -30.32 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.136 3.224 . . . . 0.0 116.533 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -51.72 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.382 0.992 . . . . 0.0 111.227 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.1 m -54.88 -52.58 62.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.234 1.814 . . . . 0.0 112.36 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.66 -61.09 4.67 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 117.049 -1.453 . . . . 0.0 113.085 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -56.67 -42.35 66.01 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.022 1.758 . . . . 0.0 112.316 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.84 -50.3 72.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 112.825 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.78 -50.49 73.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.362 . . . . 0.0 111.312 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -62.32 -40.97 98.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.036 1.735 . . . . 0.0 113.432 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.25 110.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.575 1.55 . . . . 0.0 112.698 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -135.27 110.85 9.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.827 1.651 . . . . 0.0 110.673 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -149.39 137.74 20.77 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.05 108.8 10.04 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.763 1.625 . . . . 0.0 110.141 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.208 1.803 . . . . 0.0 112.589 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.523 0.202 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.12 151.6 47.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.069 0.948 . . . . 0.0 112.355 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 tp -135.83 78.82 1.74 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.317 1.447 . . . . 0.0 109.754 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -171.08 -60.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 129.167 2.987 . . . . 0.0 108.128 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 84.8 m -133.65 64.71 1.6 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.045 2.538 . . . . 0.0 106.77 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -30.79 -56.48 0.21 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 128.505 2.722 . . . . 0.0 113.751 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.73 88.1 2.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.438 1.495 . . . . 0.0 107.811 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.21 -42.01 80.52 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.044 0.937 . . . . 0.0 110.562 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.63 -44.57 0.67 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 128.067 2.746 . . . . 0.0 114.398 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -40.16 -56.8 1.83 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.214 2.206 . . . . 0.0 112.76 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 64.8 m -87.78 -41.1 13.52 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.663 1.985 . . . . 0.0 112.225 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 98.2 mmm -51.64 -41.49 61.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.43 1.092 . . . . 0.0 112.333 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.1 -33.97 63.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.381 1.872 . . . . 0.0 114.507 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.81 -48.46 81.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.4 p -146.15 -0.32 0.79 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.86 -74.78 2.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 120.85 -1.156 . . . . 0.0 110.797 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -143.51 127.67 9.38 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.582 1.953 . . . . 0.0 110.186 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -82.37 -179.14 4.43 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.649 2.899 . . . . 0.0 112.171 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -128.41 64.44 1.42 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.345 1.858 . . . . 0.0 108.128 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.65 108.62 2.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.546 1.538 . . . . 0.0 109.53 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 48.3 p -72.7 170.75 13.89 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.553 0.692 . . . . 0.0 111.24 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -51.49 -51.66 53.19 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.523 1.129 . . . . 0.0 109.645 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -52.89 -57.29 10.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.355 1.862 . . . . 0.0 111.567 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -49.43 -54.18 18.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.042 0.937 . . . . 0.0 111.861 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.72 -57.16 14.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.1 -44.16 78.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.099 1.36 . . . . 0.0 112.983 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.72 -54.29 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.021 1.729 . . . . 0.0 112.434 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.87 -33.78 57.83 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.75 74.99 68.84 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 124.714 1.206 . . . . 0.0 112.602 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.2 163.19 10.39 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.504 3.47 . . . . 0.0 112.969 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 14.8 mt -112.67 135.49 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.658 1.183 . . . . 0.0 110.788 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -74.22 102.84 4.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.775 0.83 . . . . 0.0 111.51 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.79 -148.87 16.73 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 116.026 1.171 . . . . 0.0 116.026 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 56.1 p -68.23 -47.06 68.83 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.272 2.229 . . . . 0.0 116.572 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -54.82 144.63 21.97 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.354 1.061 . . . . 0.0 112.903 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -132.46 -67.04 0.67 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.896 1.678 . . . . 0.0 110.945 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.2 mt -119.21 107.44 13.44 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.113 0.965 . . . . 0.0 109.902 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 136.81 57.97 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.006 2.122 . . . . 0.0 109.544 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -124.16 158.38 32.47 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 41.81 -135.07 3.4 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 128.149 2.785 . . . . 0.0 117.639 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.92 -36.34 59.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.916 1.287 . . . . 0.0 113.954 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.54 -28.87 61.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.766 0.826 . . . . 0.0 112.233 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.51 -64.32 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.051 0.941 . . . . 0.0 108.648 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.81 -42.91 68.9 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.022 1.329 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.48 -50.55 72.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.885 1.274 . . . . 0.0 110.951 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.61 99.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.624 1.169 . . . . 0.0 112.044 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.98 -41.52 95.35 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.569 1.147 . . . . 0.0 112.528 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -60.03 -37.86 81.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -54.82 -13.41 1.05 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.1 -35.64 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.743 1.617 . . . . 0.0 112.137 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.113 1.365 . . . . 0.0 114.495 -177.748 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.374 0.131 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -143.97 138.37 14.99 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.624 1.57 . . . . 0.0 111.212 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.56 -40.67 63.76 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.977 2.451 . . . . 0.0 113.591 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.82 -40.08 91.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.689 1.131 . . . . 0.0 111.596 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.07 -38.02 78.44 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.536 -0.728 . . . . 0.0 110.375 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.66 -44.55 95.97 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.748 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.68 -49.96 69.39 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.642 1.11 . . . . 0.0 110.933 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.37 -45.94 87.26 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.39 1.476 . . . . 0.0 111.479 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.04 -51.31 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.729 1.212 . . . . 0.0 109.713 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -52.42 -49.33 64.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.524 1.13 . . . . 0.0 111.162 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -54.89 -53.88 49.72 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.725 1.21 . . . . 0.0 110.926 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -56.99 -44.11 82.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.197 0.999 . . . . 0.0 111.785 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.77 -54.98 37.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.982 1.713 . . . . 0.0 109.206 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.1 t -55.3 -55.95 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.173 1.389 . . . . 0.0 111.83 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.9 mt -58.54 -42.02 86.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.886 0.766 . . . . 0.0 112.938 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.96 -49.56 74.25 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.165 0.893 . . . . 0.0 111.701 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.22 -49.05 75.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.249 0.619 . . . . 0.0 110.317 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -54.21 -52.04 62.53 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.436 1.094 . . . . 0.0 111.115 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.93 -50.29 10.6 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.535 1.516 . . . . 0.0 114.007 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -65.05 -48.28 74.37 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.389 -0.819 . . . . 0.0 111.7 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -54.55 -46.12 73.58 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.779 1.231 . . . . 0.0 110.916 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.4 -42.77 96.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 128.213 2.605 . . . . 0.0 111.44 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.59 -49.77 75.31 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.262 -0.899 . . . . 0.0 109.898 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -56.21 -48.85 75.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.421 1.089 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.57 -51.99 61.18 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.875 2.07 . . . . 0.0 111.137 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.26 -48.9 78.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.671 1.988 . . . . 0.0 111.531 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.97 -45.52 82.83 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.481 1.113 . . . . 0.0 111.103 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.76 45.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.855 1.262 . . . . 0.0 111.875 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -146.84 121.84 10.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.711 1.604 . . . . 0.0 112.434 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.85 152.38 12.27 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 126.295 1.902 . . . . 0.0 111.107 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.44 -91.84 0.13 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.063 0.945 . . . . 0.0 110.52 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.95 -45.02 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.552 1.141 . . . . 0.0 109.002 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.3 -179.44 6.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 128.453 2.701 . . . . 0.0 110.399 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.28 -63.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.691 1.997 . . . . 0.0 108.628 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.9 t -83.26 -179.94 7.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.765 1.626 . . . . 0.0 112.599 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 m -128.06 -30.66 2.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.288 2.235 . . . . 0.0 112.891 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.98 127.82 93.65 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.555 1.142 . . . . 0.0 111.186 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.4 -41.69 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.14 1.893 . . . . 0.0 109.945 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.98 -20.12 65.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.685 1.994 . . . . 0.0 114.571 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 43.2 t -61.77 -48.86 78.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.82 0.848 . . . . 0.0 109.187 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.36 -46.14 76.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.963 1.305 . . . . 0.0 110.208 173.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 m -54.55 -51.21 65.92 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.14 0.976 . . . . 0.0 110.496 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.7 mmt -60.58 -39.22 87.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.294 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 45.4 mttp -61.71 -42.0 98.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.489 1.495 . . . . 0.0 111.413 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.4 -47.62 85.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.571 0.748 . . . . 0.0 109.919 174.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.5 t -57.04 -48.62 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.485 1.514 . . . . 0.0 110.201 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.68 -51.4 60.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.154 2.182 . . . . 0.0 111.712 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -55.61 -54.14 47.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.265 1.026 . . . . 0.0 110.66 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -53.11 -51.06 63.12 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.128 0.971 . . . . 0.0 111.903 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.6 mtp -48.84 -43.49 38.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.89 1.676 . . . . 0.0 113.997 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -39.26 90.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.735 0.698 . . . . 0.0 112.625 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -74.97 -53.52 8.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.581 1.152 . . . . 0.0 112.018 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.4 144.91 56.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.051 1.74 . . . . 0.0 110.791 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -130.62 6.29 4.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.827 1.651 . . . . 0.0 112.239 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.19 -67.57 0.75 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.475 1.11 . . . . 0.0 112.449 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.02 -72.25 1.37 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.514 1.055 . . . . 0.0 112.869 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -59.48 -55.08 39.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.05 1.74 . . . . 0.0 111.309 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.65 -19.28 45.65 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.545 1.538 . . . . 0.0 114.659 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.34 127.95 33.75 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.866 0.841 . . . . 0.0 111.152 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -65.84 -30.54 71.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.12 1.368 . . . . 0.0 113.149 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.94 116.94 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.155 1.382 . . . . 0.0 110.82 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.01 -51.93 38.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.722 1.609 . . . . 0.0 112.062 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -61.09 -38.07 84.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 117.274 -1.346 . . . . 0.0 113.63 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.22 -54.83 42.39 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 120.829 1.65 . . . . 0.0 110.127 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.55 70.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.271 1.028 . . . . 0.0 112.393 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -69.07 -56.39 7.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.046 1.738 . . . . 0.0 114.135 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 p -50.6 -49.34 56.76 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.213 2.205 . . . . 0.0 113.646 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -55.61 -45.04 77.55 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.203 -0.936 . . . . 0.0 110.458 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -55.62 32.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.298 1.839 . . . . 0.0 112.35 176.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 pt -54.42 -43.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.173 0.897 . . . . 0.0 112.264 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.05 -39.65 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.431 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.4 m -53.13 -51.02 63.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.702 1.137 . . . . 0.0 109.934 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.36 -63.66 1.12 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 123.623 0.769 . . . . 0.0 110.07 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -51.53 -41.29 60.93 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.56 -53.59 39.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.381 0.672 . . . . 0.0 112.037 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.35 -34.98 77.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.894 1.278 . . . . 0.0 114.257 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.36 129.35 39.54 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.291 1.437 . . . . 0.0 112.942 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 p -126.63 2.75 6.81 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.523 2.329 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -57.55 124.69 19.88 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.231 1.812 . . . . 0.0 110.258 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.47 5.97 6.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.176 1.39 . . . . 0.0 114.205 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -148.28 19.92 1.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.469 1.508 . . . . 0.0 114.573 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.6 137.05 96.35 Favored Pre-proline 0 CA--C 1.552 1.053 0 CA-C-N 119.468 1.031 . . . . 0.0 108.311 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -59.5 -9.51 9.11 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.949 3.099 . . . . 0.0 116.106 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.78 -54.22 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 119.733 1.151 . . . . 0.0 110.36 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -56.13 -38.9 71.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.091 1.756 . . . . 0.0 112.878 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.91 -62.57 4.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-O 117.195 -1.383 . . . . 0.0 111.574 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -55.97 -40.49 84.68 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 122.081 1.779 . . . . 0.0 112.613 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.72 -46.55 88.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.966 -1.084 . . . . 0.0 112.701 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -69.26 -40.09 78.02 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.839 1.199 . . . . 0.0 112.616 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -142.4 103.14 4.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.924 1.29 . . . . 0.0 114.082 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.55 100.94 2.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.799 2.04 . . . . 0.0 106.61 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.5 m -41.02 105.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.914 2.086 . . . . 0.0 114.227 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.51 132.65 15.35 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.164 2.186 . . . . 0.0 110.186 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -142.26 142.48 32.59 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.408 1.883 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.305 1.442 . . . . 0.0 111.952 177.795 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.42 -57.35 0.32 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.971 1.309 . . . . 0.0 112.747 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -132.72 -70.59 0.54 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.522 1.529 . . . . 0.0 109.104 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.79 79.93 0.49 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.961 2.104 . . . . 0.0 106.29 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 95.9 m 45.45 53.21 8.5 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.997 1.319 . . . . 0.0 110.699 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -21.26 116.95 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 129.373 3.069 . . . . 0.0 114.059 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.7 mt 63.64 80.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.176 2.19 . . . . 0.0 110.019 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.44 104.21 0.09 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.745 1.618 . . . . 0.0 109.436 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.29 -44.63 0.72 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.429 1.49 . . . . 0.0 111.507 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -47.55 -61.05 2.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.849 1.66 . . . . 0.0 112.706 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 17.3 p -74.72 -44.04 52.02 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.44 1.496 . . . . 0.0 112.312 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 76.6 mtp -47.52 -41.09 20.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.741 2.016 . . . . 0.0 113.073 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -49.8 -35.91 24.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.736 2.014 . . . . 0.0 114.273 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.23 -37.52 87.78 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.7 m -135.35 -14.23 1.99 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.61 -108.47 2.53 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.7 126.98 24.93 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.478 1.511 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -82.32 176.97 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.226 2.617 . . . . 0.0 112.95 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -118.55 63.03 0.77 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.533 1.533 . . . . 0.0 108.76 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.16 168.45 15.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.907 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.4 p -138.74 168.31 20.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.316 1.047 . . . . 0.0 110.5 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 10.9 p -53.64 -50.65 65.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.439 1.095 . . . . 0.0 109.461 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.09 -58.63 5.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.077 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.14 -50.7 66.35 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.667 0.667 . . . . 0.0 112.06 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.43 -48.67 80.76 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.081 0.952 . . . . 0.0 111.976 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.43 -48.76 76.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.217 1.407 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.55 -49.93 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.176 1.79 . . . . 0.0 112.083 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -74.12 -39.96 62.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.65 76.84 47.06 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.59 1.156 . . . . 0.0 111.993 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -55.4 136.27 72.94 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.033 3.155 . . . . 0.0 114.414 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 25.7 mt -71.11 137.67 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.128 1.771 . . . . 0.0 108.828 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -63.31 132.48 51.71 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.195 0.907 . . . . 0.0 110.622 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.98 -142.1 24.99 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.47 1.034 . . . . 0.0 111.222 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.4 m -72.21 140.18 48.57 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.985 0.914 . . . . 0.0 111.303 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.62 143.4 57.62 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -149.74 164.72 34.49 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.833 1.653 . . . . 0.0 111.235 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.0 mt -127.23 90.02 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.714 2.006 . . . . 0.0 107.611 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 126.87 15.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.341 2.256 . . . . 0.0 109.184 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -146.02 159.56 43.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.27 -147.11 49.74 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.107 1.813 . . . . 0.0 114.363 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -50.44 -38.03 41.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.569 1.148 . . . . 0.0 113.761 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.8 -33.44 56.03 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.708 1.203 . . . . 0.0 112.87 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 39.3 mt -54.81 -61.12 2.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.084 0.954 . . . . 0.0 109.129 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.3 -43.43 83.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.436 1.094 . . . . 0.0 111.346 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -56.61 -50.28 72.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.989 0.916 . . . . 0.0 110.934 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.9 93.32 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.836 1.255 . . . . 0.0 111.935 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.11 -41.96 80.98 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.54 1.136 . . . . 0.0 112.983 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.42 -38.04 73.71 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.79 -17.42 0.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.42 -38.78 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.091 1.356 . . . . 0.0 111.823 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -141.07 117.55 7.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.112 1.765 . . . . 0.0 110.908 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.2 -41.55 21.9 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.16 3.24 . . . . 0.0 114.392 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.48 -48.46 81.54 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.157 0.983 . . . . 0.0 111.397 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.76 -32.54 71.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.091 0.956 . . . . 0.0 111.605 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -62.63 -38.88 91.97 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.562 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.12 -48.6 79.7 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.675 1.125 . . . . 0.0 110.691 173.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -55.78 -50.91 69.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.064 1.345 . . . . 0.0 110.444 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.25 -51.36 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.437 1.895 . . . . 0.0 110.973 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -49.41 -51.67 33.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.473 1.509 . . . . 0.0 110.847 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -56.88 -58.34 8.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.277 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -50.05 -46.54 53.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.773 1.229 . . . . 0.0 113.157 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.6 -57.76 10.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.783 2.033 . . . . 0.0 109.935 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.02 -46.29 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 112.416 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.8 mt -58.86 -45.26 90.54 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.795 1.18 . . . . 0.0 111.935 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.39 -44.58 92.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.42 1.088 . . . . 0.0 111.39 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.61 -47.52 81.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.831 0.853 . . . . 0.0 110.241 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -53.46 -50.07 66.06 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.507 1.123 . . . . 0.0 110.778 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.41 -55.62 4.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.03 1.332 . . . . 0.0 112.546 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -65.12 -49.96 67.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.315 0.646 . . . . 0.0 112.342 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.28 -51.63 32.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.829 1.652 . . . . 0.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.87 -56.26 23.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.569 2.748 . . . . 0.0 110.989 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.48 -46.11 66.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 111.559 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -59.33 -57.56 12.49 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.856 1.663 . . . . 0.0 110.949 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -50.95 -53.32 34.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.228 1.811 . . . . 0.0 111.711 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.2 -48.3 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.02 1.328 . . . . 0.0 112.677 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.5 -46.95 86.1 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.11 0.964 . . . . 0.0 111.921 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -69.72 0.23 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.032 1.333 . . . . 0.0 111.45 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -170.94 118.35 0.49 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.722 2.009 . . . . 0.0 110.708 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.75 84.07 1.58 Allowed Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.43 -58.65 6.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.244 1.418 . . . . 0.0 111.67 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.68 139.78 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 128.331 2.652 . . . . 0.0 107.077 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 124.96 20.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.559 0.618 . . . . 0.0 110.819 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.4 -37.59 4.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.231 1.413 . . . . 0.0 111.814 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.78 115.31 2.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.134 1.774 . . . . 0.0 110.81 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.1 m -135.12 30.13 3.33 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.317 1.847 . . . . 0.0 111.629 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.2 mt -129.75 119.6 19.19 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 126.779 2.031 . . . . 0.0 109.646 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.67 -39.75 19.8 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.475 2.117 . . . . 0.0 112.343 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -71.01 -6.35 38.25 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.508 1.923 . . . . 0.0 115.698 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -51.28 -53.4 36.11 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.267 1.427 . . . . 0.0 110.372 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.86 -42.31 71.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.386 1.474 . . . . 0.0 112.048 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -59.9 -50.47 73.65 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 110.062 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.7 mmt -61.58 -37.12 82.68 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.527 -0.733 . . . . 0.0 112.347 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -59.37 -41.84 90.26 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.308 1.413 . . . . 0.0 111.231 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.37 -48.51 79.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.838 0.855 . . . . 0.0 110.31 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.65 -56.26 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.068 1.347 . . . . 0.0 109.845 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.87 -55.81 7.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.871 2.868 . . . . 0.0 111.865 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -52.25 -55.83 18.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.171 0.988 . . . . 0.0 111.038 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -55.35 -48.54 74.08 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.421 0.688 . . . . 0.0 111.318 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -45.97 30.62 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.15 2.18 . . . . 0.0 113.535 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -42.69 99.84 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.702 0.801 . . . . 0.0 112.857 178.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -72.83 -50.6 23.07 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.301 1.04 . . . . 0.0 112.273 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.14 140.04 58.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.211 1.804 . . . . 0.0 112.143 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -125.49 -6.03 7.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.989 1.716 . . . . 0.0 113.394 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.94 62.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.143 1.377 . . . . 0.0 112.147 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.83 -87.83 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.289 1.423 . . . . 0.0 113.759 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -55.83 -50.29 70.96 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 0.0 112.045 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.6 -17.57 59.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.976 1.711 . . . . 0.0 115.26 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.96 128.01 33.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.342 0.974 . . . . 0.0 110.804 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.1 -32.51 73.91 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.12 1.368 . . . . 0.0 113.432 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -67.13 116.98 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.819 1.248 . . . . 0.0 110.059 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.16 -56.38 9.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.338 1.455 . . . . 0.0 112.229 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -57.91 -44.1 86.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.241 -1.361 . . . . 0.0 113.492 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 54.1 t -54.86 -52.26 63.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.507 1.503 . . . . 0.0 110.55 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.73 -59.09 5.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.738 0.815 . . . . 0.0 110.912 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -58.99 -54.48 46.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.121 2.169 . . . . 0.0 116.035 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 p -48.97 -34.34 12.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.859 2.063 . . . . 0.0 115.1 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.08 -39.83 95.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.832 -1.167 . . . . 0.0 112.107 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -51.26 58.39 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.208 0.913 . . . . 0.0 111.783 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.4 pt -52.34 -42.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.095 0.861 . . . . 0.0 112.17 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.45 -45.02 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.836 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.2 m -51.4 -50.8 58.92 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.884 0.766 . . . . 0.0 110.407 174.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.59 -66.9 0.32 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.471 1.508 . . . . 0.0 110.947 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -52.51 -44.96 66.05 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.825 1.193 . . . . 0.0 113.946 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.87 -45.83 82.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.787 1.235 . . . . 0.0 112.364 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -79.99 -41.09 26.57 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.4 t -58.94 138.72 57.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.583 1.553 . . . . 0.0 113.419 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -134.49 10.82 3.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.13 2.172 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -61.7 127.56 32.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.358 1.463 . . . . 0.0 111.903 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -62.06 -15.49 45.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.147 1.779 . . . . 0.0 115.349 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -142.96 28.46 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.17 138.69 97.5 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.37 -3.88 5.84 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.92 3.08 . . . . 0.0 116.566 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.85 -47.82 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.601 1.091 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 m -56.07 -49.09 74.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.075 1.75 . . . . 0.0 112.173 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.35 -61.45 4.52 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.246 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -57.74 -42.86 55.23 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.387 2.058 . . . . 0.0 112.633 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.0 mt -57.03 -51.48 69.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.236 1.015 . . . . 0.0 111.692 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.78 -47.53 85.31 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.814 1.645 . . . . 0.0 111.537 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.72 -49.3 75.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.93 1.292 . . . . 0.0 111.307 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.33 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.494 1.118 . . . . 0.0 111.988 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 m -67.24 88.31 0.18 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.523 1.929 . . . . 0.0 113.367 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.92 101.51 4.76 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.919 1.688 . . . . 0.0 110.427 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.5 125.39 23.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.905 1.282 . . . . 0.0 111.826 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.772 1.629 . . . . 0.0 112.46 179.198 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.383 0.135 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.29 133.24 51.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.066 0.946 . . . . 0.0 110.648 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.37 -52.66 63.69 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.396 1.079 . . . . 0.0 112.368 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.48 -55.41 7.93 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.123 0.969 . . . . 0.0 111.255 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 10.7 m -77.28 30.15 0.14 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -62.37 -14.72 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.081 1.752 . . . . 0.0 113.865 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.4 mt -31.33 112.37 0.09 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 129.689 3.196 . . . . 0.0 114.615 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.58 -48.92 52.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.64 57.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 C-N-CA 128.894 3.14 . . . . 0.0 109.034 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -35.43 -56.92 0.63 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.206 2.202 . . . . 0.0 114.315 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 17.4 m -123.06 8.93 9.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.035 1.734 . . . . 0.0 112.243 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.97 -39.12 72.69 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.153 0.981 . . . . 0.0 110.18 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.58 -43.88 98.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.502 1.521 . . . . 0.0 110.779 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.44 -54.89 21.91 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.887 1.675 . . . . 0.0 113.077 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.6 m -142.68 -36.93 0.38 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.4 -76.27 0.31 Allowed Glycine 0 N--CA 1.473 1.124 0 N-CA-C 107.725 -2.15 . . . . 0.0 107.725 -173.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 mt -133.89 140.54 36.74 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 127.435 2.294 . . . . 0.0 108.793 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -82.18 173.19 11.09 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.898 2.399 . . . . 0.0 113.289 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.17 65.41 0.73 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.54 1.536 . . . . 0.0 108.108 172.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.61 170.81 11.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.381 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.9 p -137.26 170.69 15.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.185 1.394 . . . . 0.0 109.347 176.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.7 p -56.71 -50.14 73.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.646 0.778 . . . . 0.0 109.714 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -51.95 -55.23 21.6 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.073 1.749 . . . . 0.0 111.938 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -52.15 -50.62 61.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.69 0.796 . . . . 0.0 111.798 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 76.2 m -61.02 -51.08 70.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.538 1.135 . . . . 0.0 112.203 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.22 -48.79 70.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.686 1.194 . . . . 0.0 111.805 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.42 -53.99 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.579 1.952 . . . . 0.0 112.701 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -74.81 -36.31 62.46 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.43 76.63 78.53 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.634 1.174 . . . . 0.0 111.682 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.67 135.57 71.22 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.71 2.94 . . . . 0.0 112.521 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.43 125.66 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.417 1.087 . . . . 0.0 108.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -59.8 -42.41 93.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 114.387 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -105.23 178.76 23.64 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.774 1.655 . . . . 0.0 113.811 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -74.68 68.52 1.68 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.439 1.495 . . . . 0.0 114.329 -176.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -141.09 167.4 22.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.817 2.847 . . . . 0.0 109.223 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -149.08 -46.49 0.14 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.085 0.954 . . . . 0.0 111.37 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.7 mt -128.61 157.99 39.73 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.472 1.909 . . . . 0.0 109.59 173.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.73 143.23 50.1 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.254 2.622 . . . . 0.0 108.447 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.989 -1.069 . . . . 0.0 113.449 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.78 -147.15 33.77 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.298 1.904 . . . . 0.0 115.564 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.42 -30.76 61.06 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.52 -29.04 61.42 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.333 0.969 . . . . 0.0 111.997 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.02 -64.13 1.06 Allowed 'General case' 0 C--N 1.344 0.355 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 mt -54.11 -45.85 71.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 111.521 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -54.05 -48.06 70.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.02 175.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.29 89.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.132 0.973 . . . . 0.0 111.865 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.35 -45.62 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.41 1.004 . . . . 0.0 112.585 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.51 -24.39 65.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.86 -24.32 61.96 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -64.62 118.73 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.388 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -140.99 117.36 7.54 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.367 1.867 . . . . 0.0 110.741 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -46.07 -44.28 19.41 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.075 3.183 . . . . 0.0 114.379 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.33 -43.9 92.67 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.538 0.735 . . . . 0.0 112.159 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -60.47 -36.98 79.56 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.439 -0.788 . . . . 0.0 110.979 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.06 -44.76 96.89 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.242 0.928 . . . . 0.0 110.979 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -54.42 -46.19 73.15 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.277 1.031 . . . . 0.0 111.173 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.26 -49.86 70.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.015 1.326 . . . . 0.0 111.061 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.97 -48.39 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.378 1.471 . . . . 0.0 110.385 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -51.51 -52.88 43.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.102 1.361 . . . . 0.0 111.087 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.66 -56.08 20.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.031 0.932 . . . . 0.0 110.698 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -57.33 -40.16 77.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.05 -56.31 22.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.207 1.403 . . . . 0.0 108.925 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.34 -50.74 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.339 1.455 . . . . 0.0 112.48 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.85 -45.34 86.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.309 0.959 . . . . 0.0 112.346 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.28 -45.75 92.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.394 1.078 . . . . 0.0 112.176 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.01 -50.17 74.77 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.157 0.983 . . . . 0.0 110.179 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.15 -51.65 67.22 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.994 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.94 -50.9 5.76 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.535 1.934 . . . . 0.0 113.641 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -65.87 -45.48 81.98 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.854 -1.154 . . . . 0.0 112.16 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.95 -42.76 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.645 0.657 . . . . 0.0 111.608 173.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -53.03 -48.76 67.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.888 2.475 . . . . 0.0 111.166 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.48 -53.15 40.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.168 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -61.44 -51.54 68.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.643 1.177 . . . . 0.0 111.388 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.66 -47.64 70.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.571 1.948 . . . . 0.0 111.682 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -55.02 40.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.548 1.939 . . . . 0.0 111.094 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -59.55 -47.04 87.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.754 1.222 . . . . 0.0 112.232 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.21 70.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.414 1.486 . . . . 0.0 112.104 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -63.92 -48.04 78.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 0.0 112.1 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.5 68.33 1.34 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.381 1.467 . . . . 0.0 112.435 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.7 147.02 32.51 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.315 1.446 . . . . 0.0 111.059 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.69 -46.93 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.459 1.503 . . . . 0.0 111.088 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -135.63 79.76 1.8 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.865 2.066 . . . . 0.0 110.557 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.04 96.19 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.039 1.336 . . . . 0.0 112.421 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.5 t -74.49 -179.7 4.17 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.247 1.819 . . . . 0.0 113.671 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -133.18 -33.5 1.13 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.748 2.019 . . . . 0.0 114.396 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.27 125.62 91.32 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 119.097 0.862 . . . . 0.0 110.492 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.49 -37.9 16.0 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.336 2.024 . . . . 0.0 110.785 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -57.43 -31.59 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.413 2.285 . . . . 0.0 113.29 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 t -52.71 -42.76 65.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.651 1.98 . . . . 0.0 111.938 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -52.34 -49.62 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.356 1.463 . . . . 0.0 110.795 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m -57.45 -56.18 25.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.65 1.18 . . . . 0.0 110.308 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -42.09 77.8 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.75 0.704 . . . . 0.0 112.732 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.4 mtmm -62.89 -44.55 95.81 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.805 1.184 . . . . 0.0 112.141 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.21 -47.43 86.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.569 0.748 . . . . 0.0 110.376 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.2 t -54.49 -57.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.317 1.847 . . . . 0.0 109.754 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.57 -54.08 12.76 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.007 2.523 . . . . 0.0 112.235 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.6 -42.12 70.75 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.726 1.211 . . . . 0.0 112.477 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -71.44 -48.37 49.93 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.612 -0.68 . . . . 0.0 110.494 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.2 ttm -43.56 -44.51 6.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.284 2.634 . . . . 0.0 114.64 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -63.12 -50.28 71.1 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.617 1.167 . . . . 0.0 111.99 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.93 -33.69 72.49 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.072 1.749 . . . . 0.0 112.969 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.13 140.45 52.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.798 2.039 . . . . 0.0 112.533 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -131.43 -9.57 3.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.714 2.006 . . . . 0.0 113.107 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.6 74.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.681 1.192 . . . . 0.0 112.53 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.39 -110.87 3.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.636 1.112 . . . . 0.0 112.756 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.21 -38.41 90.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.509 1.124 . . . . 0.0 111.392 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.17 -14.53 62.68 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.306 1.842 . . . . 0.0 115.553 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.85 124.99 22.08 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 0.0 110.767 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -64.49 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.893 1.277 . . . . 0.0 113.29 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.82 113.81 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 109.832 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.82 -56.55 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.267 1.827 . . . . 0.0 112.662 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -57.87 -46.63 84.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.728 1.611 . . . . 0.0 113.221 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.9 t -57.67 -58.02 10.17 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.453 1.501 . . . . 0.0 111.245 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.31 -47.88 62.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.495 1.118 . . . . 0.0 111.178 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -65.72 -53.91 34.37 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.895 2.078 . . . . 0.0 114.897 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -51.31 -31.27 21.01 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.492 1.917 . . . . 0.0 115.015 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -60.45 -42.77 96.82 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.045 -1.034 . . . . 0.0 112.093 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -51.93 66.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.784 1.174 . . . . 0.0 112.81 177.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.44 -43.39 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.068 0.849 . . . . 0.0 112.553 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.56 -42.26 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.277 0.631 . . . . 0.0 111.133 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -52.59 -47.74 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.535 0.734 . . . . 0.0 110.723 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.29 -62.56 1.68 Allowed 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.455 1.102 . . . . 0.0 110.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -51.9 -40.64 61.02 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -63.72 -54.76 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 111.658 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 -45.07 80.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.544 1.538 . . . . 0.0 113.981 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.8 t -60.38 133.1 55.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.487 1.915 . . . . 0.0 113.447 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 p -135.14 16.16 3.49 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.409 2.284 . . . . 0.0 111.884 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -62.05 134.76 57.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 111.05 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -57.1 -31.27 65.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.631 1.572 . . . . 0.0 114.765 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -143.74 40.45 1.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.84 137.23 97.04 Favored Pre-proline 0 CA--C 1.558 1.254 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.5 -16.73 37.35 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.14 3.227 . . . . 0.0 117.405 -174.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.44 -48.4 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.694 1.134 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 m -54.67 -53.64 52.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.729 1.612 . . . . 0.0 112.031 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.1 -60.44 6.77 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.697 -1.621 . . . . 0.0 113.183 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.89 -43.04 61.65 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.277 1.849 . . . . 0.0 112.837 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.82 -54.0 51.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.84 0.856 . . . . 0.0 111.873 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -55.89 -51.73 66.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 111.448 177.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.45 -48.11 72.11 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.301 1.44 . . . . 0.0 111.232 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.45 77.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.467 1.107 . . . . 0.0 111.579 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 m -57.37 -46.15 83.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.339 1.856 . . . . 0.0 113.135 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.61 139.9 55.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.288 1.435 . . . . 0.0 112.866 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -129.03 -68.78 0.73 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.903 1.681 . . . . 0.0 110.918 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 127.89 2.476 . . . . 0.0 111.326 179.514 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.57 0.224 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -147.99 163.63 36.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.036 1.735 . . . . 0.0 111.157 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.8 tp -112.98 -43.42 3.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.6 1.96 . . . . 0.0 112.097 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.28 -57.62 10.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.728 1.211 . . . . 0.0 112.229 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.18 69.95 1.41 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.22 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.537 ' HD3' ' H ' ' B' ' 104' ' ' ARG . 0.0 OUTLIER -46.88 -38.83 11.03 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.943 1.697 . . . . 0.0 111.946 176.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -115.11 79.11 1.23 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.241 1.817 . . . . 0.0 108.377 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.96 -33.83 65.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.955 0.902 . . . . 0.0 110.828 175.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -45.75 -31.16 3.79 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 127.64 2.543 . . . . 0.0 115.028 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -44.29 -57.58 3.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.584 1.954 . . . . 0.0 112.74 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 54.5 m -82.45 -23.02 34.99 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.367 1.467 . . . . 0.0 112.857 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 49.8 mtt -67.4 -35.91 80.23 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.283 -0.885 . . . . 0.0 110.588 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.5 -43.09 99.66 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.565 1.546 . . . . 0.0 110.857 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.42 -52.56 52.49 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.821 1.648 . . . . 0.0 112.859 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 m -138.2 -33.53 0.68 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -176.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.38 -76.92 0.85 Allowed Glycine 0 N--CA 1.475 1.241 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 12.4 mt -135.98 120.36 12.98 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 125.829 1.651 . . . . 0.0 108.795 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -81.41 175.73 9.33 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.192 2.595 . . . . 0.0 113.128 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -123.45 67.51 1.01 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.26 1.824 . . . . 0.0 107.73 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.16 169.91 9.48 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.297 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 58.0 p -136.54 164.41 28.24 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.141 0.976 . . . . 0.0 109.984 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -54.48 -49.64 69.62 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.388 0.675 . . . . 0.0 109.98 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.89 -56.04 18.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.489 1.516 . . . . 0.0 111.815 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -53.52 -49.59 67.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.503 0.721 . . . . 0.0 111.653 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -50.47 73.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.07 0.948 . . . . 0.0 112.054 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.93 -37.71 71.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.926 1.291 . . . . 0.0 112.792 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.67 -52.36 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.567 1.947 . . . . 0.0 111.978 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.99 -40.27 63.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.74 1.216 . . . . 0.0 114.263 -175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.28 72.5 81.08 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.496 1.118 . . . . 0.0 111.399 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.52 129.66 27.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.246 3.297 . . . . 0.0 114.476 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 27.7 mt -69.77 124.14 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.64 142.11 57.38 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.573 0.701 . . . . 0.0 112.863 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.67 -76.78 1.97 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.804 1.192 . . . . 0.0 110.172 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -149.66 154.1 38.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.513 1.925 . . . . 0.0 110.802 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -64.14 140.22 58.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.357 0.663 . . . . 0.0 110.209 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -144.78 173.2 12.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.049 1.74 . . . . 0.0 111.758 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 19.5 mt -138.63 80.78 1.81 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.352 2.261 . . . . 0.0 108.891 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 117.3 4.56 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -143.58 167.03 23.2 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -173.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.48 -146.14 46.82 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.472 1.51 . . . . 0.0 114.291 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.35 -34.88 59.3 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.156 0.978 . . . . 0.0 112.881 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -54.04 -34.09 59.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.815 1.246 . . . . 0.0 112.165 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.92 -64.16 0.95 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.174 0.99 . . . . 0.0 108.851 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.67 -43.36 68.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.955 1.302 . . . . 0.0 111.526 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -57.01 -51.39 69.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.668 1.187 . . . . 0.0 110.98 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.53 72.95 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.896 1.278 . . . . 0.0 111.837 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 73.3 mt -55.6 -46.71 77.26 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.7 1.2 . . . . 0.0 111.661 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -17.65 64.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.2 -24.1 67.02 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.663 1.119 . . . . 0.0 113.325 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.63 123.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.252 0 O-C-N 121.031 -1.043 . . . . 0.0 113.1 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.516 0.198 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -145.85 138.16 13.58 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.502 1.521 . . . . 0.0 111.992 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -62.93 -37.16 55.93 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.645 2.897 . . . . 0.0 114.043 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.93 -53.14 58.67 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.2 -39.47 63.73 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.777 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -59.32 -51.5 69.69 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 110.377 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -60.3 -39.49 87.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.117 0.967 . . . . 0.0 112.355 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.87 -47.32 86.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.926 1.29 . . . . 0.0 110.281 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.13 -51.35 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.459 1.503 . . . . 0.0 109.833 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.55 -50.73 52.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.164 1.386 . . . . 0.0 111.358 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -56.69 -58.59 7.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.671 1.188 . . . . 0.0 110.527 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -50.4 -44.04 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.94 1.296 . . . . 0.0 112.466 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.52 -58.25 8.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.021 1.729 . . . . 0.0 110.225 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.88 -42.94 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.44 1.096 . . . . 0.0 112.422 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.2 mt -58.11 -48.81 79.06 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.669 1.122 . . . . 0.0 111.338 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.8 -45.17 90.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.529 1.132 . . . . 0.0 111.578 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.77 -49.2 78.66 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.096 0.958 . . . . 0.0 110.346 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -54.8 -50.28 68.93 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.436 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.33 -49.68 6.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.946 1.298 . . . . 0.0 113.475 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -70.22 -49.47 49.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.609 0.764 . . . . 0.0 111.914 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -52.35 -43.16 64.47 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.034 1.334 . . . . 0.0 111.973 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -53.74 -63.24 1.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.322 3.049 . . . . 0.0 112.06 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.25 -37.45 74.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.693 -0.629 . . . . 0.0 112.248 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.86 -55.04 33.95 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -52.64 -53.62 44.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.361 2.264 . . . . 0.0 111.27 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.13 -50.95 57.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.352 1.461 . . . . 0.0 112.08 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -65.67 -48.29 72.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.462 1.105 . . . . 0.0 112.279 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.47 -67.72 0.41 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.621 1.568 . . . . 0.0 113.136 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -162.62 112.06 1.41 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.776 2.03 . . . . 0.0 111.034 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.26 111.87 0.51 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.355 1.455 . . . . 0.0 110.728 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -130.91 -64.57 0.82 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.165 1.386 . . . . 0.0 111.468 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.09 -51.53 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.999 1.319 . . . . 0.0 109.904 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -145.12 157.35 44.12 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 127.544 2.338 . . . . 0.0 110.635 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.41 -74.5 0.45 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.462 1.905 . . . . 0.0 108.142 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.34 155.04 17.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.622 1.969 . . . . 0.0 111.535 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -135.97 -57.85 0.76 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.93 1.692 . . . . 0.0 113.034 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.4 130.51 93.4 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.039 1.735 . . . . 0.0 112.011 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.43 -41.95 14.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.096 2.531 . . . . 0.0 114.012 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -70.14 -9.07 54.43 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.142 1.777 . . . . 0.0 115.076 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.6 t -45.72 -54.34 8.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 112.353 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -52.23 -43.84 64.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.896 1.278 . . . . 0.0 112.457 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -60.54 -48.66 80.78 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.12 0.968 . . . . 0.0 109.853 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.29 -36.97 81.52 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.476 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -59.82 -41.92 92.38 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 120.874 1.67 . . . . 0.0 111.338 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.467 0.707 . . . . 0.0 110.144 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -57.65 -48.69 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.073 1.349 . . . . 0.0 110.273 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.02 -48.35 67.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.791 2.436 . . . . 0.0 112.48 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -59.2 -48.07 82.97 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.195 0.998 . . . . 0.0 111.118 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.99 -52.52 62.65 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.256 0.622 . . . . 0.0 111.658 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.3 mtp -39.36 -54.57 1.86 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.669 2.388 . . . . 0.0 114.591 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.1 p -60.21 -46.16 90.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.388 1.075 . . . . 0.0 113.114 -178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -72.96 -43.8 61.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.342 1.457 . . . . 0.0 112.698 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.5 t -61.54 135.69 57.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.384 1.874 . . . . 0.0 112.073 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -118.58 -6.8 10.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.808 1.643 . . . . 0.0 112.995 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.05 76.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.18 1.392 . . . . 0.0 112.668 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.55 -100.13 0.1 Allowed Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.496 1.522 . . . . 0.0 113.34 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -56.1 -39.79 72.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.651 1.58 . . . . 0.0 111.601 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.22 54.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.67 1.588 . . . . 0.0 115.003 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.37 127.29 32.42 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.657 1.117 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -66.37 -29.0 69.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 113.647 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.35 122.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.147 1.379 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.46 2.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.408 1.883 . . . . 0.0 113.006 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -58.53 -41.54 85.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.969 1.307 . . . . 0.0 113.173 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.6 t -55.91 -52.22 64.88 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.234 1.414 . . . . 0.0 112.35 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.69 85.2 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.066 0.946 . . . . 0.0 111.648 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.1 m -64.33 -52.43 58.47 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.188 1.795 . . . . 0.0 114.083 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -53.07 -38.3 62.39 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.464 2.305 . . . . 0.0 114.412 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -63.51 -50.22 70.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.337 173.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.51 15.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.606 1.962 . . . . 0.0 113.102 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -51.99 -46.27 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 118.853 0.751 . . . . 0.0 112.557 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.3 mm -69.96 -37.89 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.622 0.769 . . . . 0.0 111.63 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -53.27 -48.58 68.18 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.455 1.102 . . . . 0.0 110.041 173.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.96 -63.32 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.172 0.989 . . . . 0.0 110.466 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -54.2 -41.72 68.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -58.99 -43.39 91.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.385 -0.822 . . . . 0.0 111.81 177.4 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -76.86 -50.22 13.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.191 1.397 . . . . 0.0 113.634 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.0 130.53 46.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.665 1.586 . . . . 0.0 114.188 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -135.27 16.09 3.46 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.288 2.235 . . . . 0.0 111.181 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 57.6 ttt180 -62.32 132.48 52.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.233 1.813 . . . . 0.0 111.011 178.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -12.79 8.21 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.418 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 8.9 p-10 -150.73 24.66 0.77 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 138.04 97.12 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 119.762 1.164 . . . . 0.0 108.513 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -60.93 -6.84 6.67 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.25 3.3 . . . . 0.0 117.003 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.03 -51.77 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.857 1.208 . . . . 0.0 110.766 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.35 -50.01 65.93 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.48 1.912 . . . . 0.0 112.633 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.8 -61.43 7.37 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 117.151 -1.404 . . . . 0.0 112.026 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -57.71 -40.96 75.29 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.984 1.79 . . . . 0.0 112.937 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -57.11 -45.59 83.32 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.22 1.373 . . . . 0.0 112.154 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.71 -56.98 8.12 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.112 1.365 . . . . 0.0 111.95 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -73.3 -65.39 0.82 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.244 1.818 . . . . 0.0 115.25 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.01 100.68 0.77 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.841 1.256 . . . . 0.0 112.617 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -141.89 126.61 18.03 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.179 1.791 . . . . 0.0 110.839 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.38 93.85 4.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.222 1.009 . . . . 0.0 110.283 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -120.22 -80.73 0.62 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.926 1.69 . . . . 0.0 111.508 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.823 1.649 . . . . 0.0 111.973 178.529 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.713 0.292 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.63 166.75 24.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.168 1.787 . . . . 0.0 110.935 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 12.4 tp -144.25 79.95 1.63 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.57 2.348 . . . . 0.0 106.654 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 47.35 61.46 2.89 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.849 1.659 . . . . 0.0 113.027 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 62.3 m 51.28 60.94 3.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 108.894 -171.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -46.61 130.37 11.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.228 2.211 . . . . 0.0 113.105 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 46.36 75.1 0.13 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.433 1.893 . . . . 0.0 110.719 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.7 mt -52.65 -37.64 58.96 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.602 0.761 . . . . 0.0 111.159 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.2 -42.12 0.37 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 128.179 2.8 . . . . 0.0 114.141 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -44.66 -56.15 4.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.466 2.306 . . . . 0.0 112.373 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.3 m -84.58 -37.44 21.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.637 2.375 . . . . 0.0 112.42 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 89.4 mtp -51.32 -32.7 26.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.301 1.44 . . . . 0.0 113.258 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.55 -42.13 67.2 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.188 1.395 . . . . 0.0 112.057 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -85.38 -55.64 3.92 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.574 1.55 . . . . 0.0 111.376 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 68.1 m -58.41 -45.24 88.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.971 2.508 . . . . 0.0 115.918 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.63 -114.32 6.73 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 109.216 -1.553 . . . . 0.0 109.216 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.8 mt -134.97 120.58 14.19 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.077 1.751 . . . . 0.0 107.207 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -81.29 174.53 10.59 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 122.966 2.444 . . . . 0.0 114.03 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -117.75 62.82 0.75 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.714 1.606 . . . . 0.0 108.566 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.76 170.42 12.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.438 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 77.0 p -140.76 163.64 32.36 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.873 1.269 . . . . 0.0 109.446 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 80.0 p -55.32 -41.52 72.53 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.885 -0.509 . . . . 0.0 110.647 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -55.83 -56.84 15.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.129 1.372 . . . . 0.0 111.511 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.1 -49.52 68.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.675 0.79 . . . . 0.0 111.423 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.75 -49.67 76.83 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.605 1.162 . . . . 0.0 111.928 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -56.01 -48.35 76.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.605 1.562 . . . . 0.0 111.369 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.65 -51.21 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.334 1.854 . . . . 0.0 112.369 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.61 -40.17 64.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.499 1.12 . . . . 0.0 113.786 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.29 75.66 52.08 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.579 1.152 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.54 136.76 75.48 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.786 2.99 . . . . 0.0 112.67 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.22 129.79 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.931 1.293 . . . . 0.0 109.164 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -54.99 -51.81 65.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.261 1.424 . . . . 0.0 113.301 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -88.27 160.1 30.38 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.784 1.659 . . . . 0.0 112.261 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -74.67 65.62 1.35 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.014 1.326 . . . . 0.0 113.927 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.08 174.65 10.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.075 2.55 . . . . 0.0 110.473 177.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -132.72 -140.59 0.2 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.224 1.41 . . . . 0.0 110.088 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.04 109.46 0.59 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.57 135.46 51.54 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 129.393 3.077 . . . . 0.0 106.972 171.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -141.16 168.67 19.22 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.56 -142.17 40.85 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 127.251 2.358 . . . . 0.0 115.814 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.57 -33.16 59.78 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 117.994 0.897 . . . . 0.0 113.084 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -55.5 -33.17 63.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.98 0.912 . . . . 0.0 112.0 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.18 -57.27 13.32 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.56 -46.43 80.72 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.49 1.116 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.2 -48.61 73.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.201 1.0 . . . . 0.0 110.993 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.11 83.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.01 1.324 . . . . 0.0 111.584 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.43 -45.15 92.37 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 111.967 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.5 -23.27 65.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.48 -17.74 47.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.69 118.05 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.355 1.062 . . . . 0.0 113.026 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.601 0.239 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.13 125.73 91.84 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.6 1.16 . . . . 0.0 113.012 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.0 -49.01 18.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.083 3.189 . . . . 0.0 114.948 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.36 -45.47 93.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.816 0.846 . . . . 0.0 111.487 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.28 -38.82 66.29 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.029 0.831 . . . . 0.0 111.618 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -57.91 -47.61 82.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.373 0.988 . . . . 0.0 110.812 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -56.06 -48.08 76.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.881 1.272 . . . . 0.0 111.355 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.52 -42.28 96.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.094 1.358 . . . . 0.0 111.594 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.31 -52.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.803 1.241 . . . . 0.0 109.324 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -48.35 -49.5 34.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.814 1.645 . . . . 0.0 111.133 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -55.12 -60.87 2.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.445 1.498 . . . . 0.0 110.694 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -53.81 -40.36 66.3 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.416 1.007 . . . . 0.0 112.315 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.84 -58.49 7.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.881 1.672 . . . . 0.0 109.871 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.65 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.716 1.206 . . . . 0.0 112.054 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.48 -48.41 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.28 0.946 . . . . 0.0 112.085 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.36 -43.3 92.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.421 1.489 . . . . 0.0 111.969 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -63.05 -49.82 73.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.207 1.003 . . . . 0.0 110.483 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.11 -50.39 66.99 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.901 0.88 . . . . 0.0 110.178 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.73 7.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.56 1.544 . . . . 0.0 112.744 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.05 -44.73 83.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.58 -0.7 . . . . 0.0 112.76 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -53.72 -52.0 61.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.162 0.985 . . . . 0.0 110.703 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.32 -52.68 64.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.459 2.703 . . . . 0.0 110.548 177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -50.12 -56.64 10.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.429 1.892 . . . . 0.0 111.028 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -50.89 -51.33 52.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.331 1.452 . . . . 0.0 111.318 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.09 -57.75 11.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.143 0.577 . . . . 0.0 111.17 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -46.04 -44.41 15.27 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.099 2.16 . . . . 0.0 114.005 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -54.92 -40.13 69.55 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.889 0.876 . . . . 0.0 112.281 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.69 -57.71 3.44 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.418 1.487 . . . . 0.0 111.486 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -147.74 133.83 19.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.47 1.908 . . . . 0.0 111.714 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.43 158.14 26.26 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 121.284 -0.885 . . . . 0.0 114.147 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -151.04 165.19 34.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.688 1.995 . . . . 0.0 111.001 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -50.3 -47.82 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.981 1.313 . . . . 0.0 112.739 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -76.91 -4.88 46.14 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.95 70.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.549 1.068 . . . . 0.0 111.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.36 172.31 13.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.308 1.443 . . . . 0.0 111.77 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -135.51 -53.95 0.78 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.866 1.667 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.79 119.34 59.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.881 1.672 . . . . 0.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.51 -36.59 33.41 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.261 1.974 . . . . 0.0 112.224 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -69.98 -9.47 55.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.697 1.999 . . . . 0.0 114.998 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.84 -54.54 32.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.583 1.553 . . . . 0.0 110.794 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.248 -0.908 . . . . 0.0 112.796 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -60.7 -50.62 72.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.697 0.681 . . . . 0.0 109.192 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mmt -59.77 -39.29 84.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.335 -0.841 . . . . 0.0 112.096 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -60.4 -45.16 94.57 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.67 1.577 . . . . 0.0 111.494 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -59.19 -47.73 84.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.539 0.736 . . . . 0.0 110.212 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.86 -48.51 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.459 1.503 . . . . 0.0 110.913 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.19 -50.16 67.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.072 2.549 . . . . 0.0 111.853 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -57.57 -42.09 82.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.465 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.61 -51.72 46.87 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.788 0.835 . . . . 0.0 111.124 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.8 mtp -42.91 -49.48 5.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.579 2.352 . . . . 0.0 114.658 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -59.87 -46.37 89.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.904 0.881 . . . . 0.0 112.588 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -74.25 -45.94 44.71 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.981 1.712 . . . . 0.0 113.293 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' CB ' HH22 ' A' ' 68' ' ' ARG . 43.3 t -60.99 133.38 56.04 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.384 1.874 . . . . 0.0 112.895 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -113.9 -8.4 13.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.803 1.641 . . . . 0.0 113.565 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.06 92.36 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.099 1.36 . . . . 0.0 112.941 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.63 -99.83 0.1 OUTLIER Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.766 1.65 . . . . 0.0 113.866 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -56.35 -43.02 78.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.636 1.175 . . . . 0.0 111.565 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.02 -18.67 60.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.884 . . . . 0.0 115.475 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.85 126.7 29.33 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.563 1.074 . . . . 0.0 110.777 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -30.35 71.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.209 1.403 . . . . 0.0 113.84 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.38 117.62 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.897 1.279 . . . . 0.0 110.637 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -54.07 17.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.674 1.59 . . . . 0.0 112.838 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -58.94 -46.15 88.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.282 1.433 . . . . 0.0 112.502 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.39 -48.31 81.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.926 1.29 . . . . 0.0 111.433 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.01 -57.03 14.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.291 1.036 . . . . 0.0 111.406 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.4 p -62.38 -50.74 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.432 1.893 . . . . 0.0 115.195 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.0 p -45.64 -40.45 9.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.896 2.078 . . . . 0.0 115.459 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.403 HH22 ' CB ' ' A' ' 53' ' ' CYS . 34.5 mtt180 -61.6 -33.7 74.36 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.865 -1.147 . . . . 0.0 112.809 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -49.7 36.66 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.426 1.012 . . . . 0.0 111.995 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 pt -52.41 -47.07 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.063 0.847 . . . . 0.0 112.165 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.6 -36.93 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.146 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -54.53 -53.46 54.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.974 0.807 . . . . 0.0 110.089 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.96 -59.99 4.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.681 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -63.52 -46.28 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.61 -0.681 . . . . 0.0 112.374 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -72.14 -40.36 68.11 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.1 t -60.78 130.08 44.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.1 1.76 . . . . 0.0 113.71 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.9 p -134.15 18.87 3.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.413 2.285 . . . . 0.0 111.734 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -60.93 146.72 45.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.235 2.214 . . . . 0.0 112.599 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -53.47 -51.26 63.3 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.165 1.386 . . . . 0.0 111.113 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -145.83 118.37 8.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.493 1.517 . . . . 0.0 111.41 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.41 142.5 38.93 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 128.339 2.656 . . . . 0.0 105.697 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.22 -13.47 16.23 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 117.484 -173.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.48 -49.52 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.889 1.222 . . . . 0.0 111.038 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.8 m -53.52 -51.35 63.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.714 2.006 . . . . 0.0 113.05 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.88 -59.95 10.96 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.095 1.358 . . . . 0.0 112.96 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.05 -33.41 98.61 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.976 1.784 . . . . 0.0 113.246 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.52 -47.25 76.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.358 -0.839 . . . . 0.0 111.305 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.06 -52.75 64.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.258 1.423 . . . . 0.0 111.131 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.61 123.62 18.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.635 1.174 . . . . 0.0 113.054 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.89 118.38 24.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.896 1.679 . . . . 0.0 108.943 174.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 m -129.12 131.86 47.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.241 1.417 . . . . 0.0 111.734 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.73 142.62 57.93 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.584 1.153 . . . . 0.0 112.044 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.64 113.3 16.54 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.643 1.577 . . . . 0.0 110.585 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.166 1.786 . . . . 0.0 112.797 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.668 -0.123 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.23 113.13 5.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.435 0.694 . . . . 0.0 110.368 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.38 -47.67 0.39 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.24 1.416 . . . . 0.0 112.867 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 96.52 0.04 OUTLIER 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.733 2.013 . . . . 0.0 108.734 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 36.4 m 46.78 53.64 9.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.33 1.852 . . . . 0.0 111.915 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 140.24 4.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.919 1.688 . . . . 0.0 111.995 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 57.56 65.24 1.38 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.027 1.331 . . . . 0.0 109.613 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.74 -28.05 60.41 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.855 0.862 . . . . 0.0 111.81 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -42.33 -36.98 2.3 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 127.399 2.428 . . . . 0.0 113.624 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.17 -60.66 2.46 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.254 2.221 . . . . 0.0 111.866 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.6 m -74.4 -38.82 63.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.811 2.045 . . . . 0.0 111.611 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.16 39.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.115 1.366 . . . . 0.0 113.032 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.31 -30.29 62.34 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.155 1.382 . . . . 0.0 112.795 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -76.71 72.57 3.36 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.793 1.637 . . . . 0.0 111.333 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 33.0 m 55.66 30.84 16.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.521 2.329 . . . . 0.0 115.441 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.78 -108.97 2.66 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.574 1.083 . . . . 0.0 112.358 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 mt -90.42 137.98 27.19 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.493 1.117 . . . . 0.0 111.217 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -83.27 177.77 6.28 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.679 2.92 . . . . 0.0 113.298 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -114.03 60.46 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.161 1.384 . . . . 0.0 108.733 172.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.3 mt -68.81 158.08 35.13 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.536 1.135 . . . . 0.0 110.379 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.8 p -132.87 167.77 19.6 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.685 1.194 . . . . 0.0 111.057 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.1 p -54.76 -51.2 66.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.4 1.08 . . . . 0.0 110.429 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -51.67 -56.74 11.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.611 1.564 . . . . 0.0 111.844 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -52.88 -51.15 62.19 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.811 0.844 . . . . 0.0 111.975 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.31 -49.75 76.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.456 1.102 . . . . 0.0 112.284 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.6 -46.16 81.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.419 1.088 . . . . 0.0 111.694 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.95 -50.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.207 1.803 . . . . 0.0 112.23 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -71.61 -44.11 65.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.907 1.283 . . . . 0.0 114.19 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -132.18 75.87 74.01 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.843 1.257 . . . . 0.0 111.969 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.22 138.97 72.72 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.89 3.06 . . . . 0.0 112.777 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.1 mt -78.46 125.53 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -64.71 -34.98 79.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -106.68 -162.35 22.28 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.143 1.354 . . . . 0.0 114.761 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 24.3 m -61.03 -37.02 81.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.469 1.907 . . . . 0.0 115.832 -175.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -63.0 159.96 15.98 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.256 1.027 . . . . 0.0 113.204 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -134.9 -39.89 0.77 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.381 1.872 . . . . 0.0 111.135 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 9.8 mt -128.29 140.65 51.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.932 1.693 . . . . 0.0 109.543 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 124.7 51.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.105 2.562 . . . . 0.0 106.729 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -146.3 162.07 38.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.433 1.093 . . . . 0.0 113.875 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.09 -146.26 48.86 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.987 1.756 . . . . 0.0 114.514 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.72 -35.99 56.71 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.104 0.962 . . . . 0.0 113.409 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.14 -35.87 49.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.859 1.264 . . . . 0.0 112.122 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.69 -62.48 1.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.306 1.042 . . . . 0.0 108.805 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.41 -45.35 80.69 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.694 1.198 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -52.79 -50.26 63.95 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.394 1.078 . . . . 0.0 111.101 175.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.1 -49.53 74.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.568 1.147 . . . . 0.0 111.968 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.67 -44.37 85.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.381 0.991 . . . . 0.0 112.611 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.6 -33.58 72.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.561 . . . . 0.0 114.708 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.85 -16.0 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -60.73 -36.92 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.35 1.46 . . . . 0.0 111.804 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.197 1.399 . . . . 0.0 114.421 -175.867 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.89 134.91 12.44 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.857 1.263 . . . . 0.0 111.797 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.18 -49.15 14.76 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.851 3.034 . . . . 0.0 114.513 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.27 -40.7 98.12 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.236 -0.915 . . . . 0.0 112.224 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.67 -38.75 82.32 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 0.772 . . . . 0.0 110.367 173.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -62.11 -46.3 89.66 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.637 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -53.69 -48.35 69.59 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 120.014 1.279 . . . . 0.0 111.063 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.83 -51.52 69.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.104 1.362 . . . . 0.0 111.122 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -54.73 -51.27 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.909 1.284 . . . . 0.0 110.101 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -52.05 -51.96 54.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.587 . . . . 0.0 111.555 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -53.24 -54.62 33.47 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 110.756 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.94 -39.04 87.97 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.002 0.921 . . . . 0.0 112.897 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.48 -54.31 45.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.799 1.64 . . . . 0.0 109.017 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.17 -53.91 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.636 1.174 . . . . 0.0 111.248 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -56.22 -46.22 79.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.64 -47.96 83.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.291 1.036 . . . . 0.0 112.498 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.81 -52.11 66.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.124 0.97 . . . . 0.0 110.809 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -54.6 -54.29 43.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.079 0.952 . . . . 0.0 110.613 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.0 -57.37 2.02 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.916 2.087 . . . . 0.0 114.524 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -69.85 -40.96 75.48 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.68 1.127 . . . . 0.0 113.201 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.76 -47.51 76.87 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.351 0.978 . . . . 0.0 110.263 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.3 t -62.48 -41.11 98.56 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.456 2.702 . . . . 0.0 111.357 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.29 -41.91 80.7 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.246 1.419 . . . . 0.0 111.031 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -64.03 -46.17 85.65 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.105 -0.997 . . . . 0.0 110.926 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -56.71 -49.9 73.8 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.385 1.874 . . . . 0.0 110.624 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.07 -51.74 60.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.919 1.688 . . . . 0.0 110.745 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.46 -45.26 88.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.233 1.013 . . . . 0.0 111.941 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.46 73.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.394 1.078 . . . . 0.0 112.064 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.5 -56.33 21.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.916 1.686 . . . . 0.0 112.119 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.01 138.35 3.88 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 128.305 2.86 . . . . 0.0 109.075 -174.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 107.35 3.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.809 0.844 . . . . 0.0 111.266 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.12 -63.65 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.77 2.028 . . . . 0.0 108.57 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -137.68 145.9 43.17 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.991 2.916 . . . . 0.0 107.369 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.0 -75.66 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.023 0.374 . . . . 0.0 111.907 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 t -148.89 -179.9 7.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.071 2.148 . . . . 0.0 112.703 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 m -72.66 -45.32 59.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.791 1.636 . . . . 0.0 110.578 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -69.23 127.77 92.8 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.354 1.062 . . . . 0.0 109.585 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.9 -33.7 41.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.266 1.977 . . . . 0.0 110.584 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -59.14 -34.5 72.14 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.733 2.013 . . . . 0.0 113.108 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.16 -49.35 66.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.659 1.584 . . . . 0.0 111.201 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.76 -49.77 61.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.733 1.613 . . . . 0.0 110.826 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -59.06 -52.72 64.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.456 1.102 . . . . 0.0 110.987 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -38.38 75.26 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.422 1.01 . . . . 0.0 112.039 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -63.12 -40.77 98.57 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.327 1.421 . . . . 0.0 111.706 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.11 -47.44 82.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.879 0.871 . . . . 0.0 110.227 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.17 -50.11 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.988 1.715 . . . . 0.0 110.146 175.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.29 -56.92 12.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.797 2.039 . . . . 0.0 110.829 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -51.6 -45.46 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.891 1.276 . . . . 0.0 111.897 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.89 -54.45 38.53 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.074 0.55 . . . . 0.0 111.329 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.262 14.4 ptt? -59.22 -25.05 63.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 p -70.88 -39.45 72.84 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.416 1.462 . . . . 0.0 111.207 174.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -73.3 -55.96 5.71 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.583 1.553 . . . . 0.0 111.288 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.52 146.57 51.38 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.253 1.421 . . . . 0.0 110.65 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -130.2 -2.33 4.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.322 1.449 . . . . 0.0 113.492 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.32 -63.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.343 1.057 . . . . 0.0 111.774 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.38 -72.88 0.45 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.203 1.382 . . . . 0.0 113.633 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -59.13 -53.4 58.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.208 1.803 . . . . 0.0 110.691 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.35 -19.95 41.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.538 1.535 . . . . 0.0 114.355 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -61.21 122.88 16.16 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.047 0.839 . . . . 0.0 110.187 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.19 -24.41 65.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.785 1.234 . . . . 0.0 113.269 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.78 115.19 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.11 1.364 . . . . 0.0 110.042 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.07 -51.89 22.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.014 1.726 . . . . 0.0 112.324 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -60.1 -44.56 94.73 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.335 1.454 . . . . 0.0 113.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.4 t -55.84 -55.85 27.6 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.262 1.392 . . . . 0.0 110.269 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.34 -46.2 65.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.101 1.36 . . . . 0.0 112.553 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -69.53 -58.86 3.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.818 1.647 . . . . 0.0 114.106 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 p -49.47 -49.02 47.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.023 2.129 . . . . 0.0 113.29 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -51.53 -51.82 52.16 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.439 -0.788 . . . . 0.0 110.715 174.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -55.18 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.299 1.839 . . . . 0.0 112.597 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -55.79 -43.63 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.007 0.822 . . . . 0.0 112.842 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.5 mm -69.49 -40.59 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.794 0.725 . . . . 0.0 111.549 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -54.0 -50.12 67.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.334 1.053 . . . . 0.0 109.859 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -58.34 -60.79 3.22 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.753 0.821 . . . . 0.0 109.806 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -50.95 -44.48 60.45 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -65.36 -50.5 65.32 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.938 0.79 . . . . 0.0 112.167 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.23 -45.13 89.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.382 1.073 . . . . 0.0 113.226 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.57 125.22 23.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.28 1.432 . . . . 0.0 112.607 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 p -133.3 20.85 4.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.484 2.314 . . . . 0.0 110.68 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.3 ttm-85 -65.04 136.79 57.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.654 2.382 . . . . 0.0 110.777 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -70.84 -9.46 57.63 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -148.33 27.81 0.92 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.42 136.29 96.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 CA-C-N 120.165 1.348 . . . . 0.0 107.771 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -60.7 -7.02 6.61 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.042 3.161 . . . . 0.0 116.571 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.29 -52.67 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.497 1.044 . . . . 0.0 110.685 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.54 -47.19 73.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.985 1.714 . . . . 0.0 112.393 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.23 -62.29 5.52 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -58.55 -38.43 89.79 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 121.947 1.731 . . . . 0.0 113.611 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.95 -40.27 92.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.125 -0.985 . . . . 0.0 112.002 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -64.21 -58.91 5.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.523 1.129 . . . . 0.0 109.266 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -156.08 108.5 2.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.145 1.778 . . . . 0.0 111.196 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.26 122.2 27.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.241 0.616 . . . . 0.0 110.362 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 p -65.54 156.94 31.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.559 1.144 . . . . 0.0 111.07 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.09 109.69 2.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.414 -0.804 . . . . 0.0 111.052 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -139.62 140.47 36.98 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.957 2.103 . . . . 0.0 110.301 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 124.752 1.221 . . . . 0.0 111.32 177.521 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.71 0.29 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -146.51 163.96 34.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.326 1.851 . . . . 0.0 109.946 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -145.52 -51.45 0.25 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.162 2.185 . . . . 0.0 110.312 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -31.0 37.57 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.257 1.423 . . . . 0.0 113.018 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 30.0 p -53.8 -20.78 6.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.695 1.598 . . . . 0.0 114.826 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -50.71 -37.53 41.93 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.402 1.481 . . . . 0.0 114.029 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.2 -6.99 51.08 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.99 73.95 2.19 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.323 1.42 . . . . 0.0 107.812 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.48 -24.36 1.21 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 127.267 2.365 . . . . 0.0 112.559 -172.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.26 -47.65 85.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.505 1.653 . . . . 0.0 112.208 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -116.72 1.34 12.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.47 1.108 . . . . 0.0 113.787 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 35.3 mtt -68.0 -36.46 80.04 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.264 -0.897 . . . . 0.0 110.627 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.0 -46.3 88.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.319 1.447 . . . . 0.0 111.073 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.99 -54.32 19.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.348 1.859 . . . . 0.0 113.73 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.5 m -127.07 -38.83 1.97 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.53 -111.78 3.98 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -98.65 115.86 65.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.039 0.936 . . . . 0.0 108.593 173.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -80.12 173.77 12.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.189 2.593 . . . . 0.0 113.055 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.02 66.01 0.67 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.042 1.337 . . . . 0.0 108.658 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.9 169.75 12.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.377 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 62.4 p -139.47 169.01 18.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.147 0.979 . . . . 0.0 110.577 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 6.4 p -53.59 -52.79 58.65 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 108.743 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -50.55 -57.95 6.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.758 1.623 . . . . 0.0 112.325 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.93 -50.73 65.79 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.052 0.842 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.52 -48.53 80.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.214 1.006 . . . . 0.0 111.895 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.6 -47.57 76.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.598 1.559 . . . . 0.0 111.547 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.2 -50.81 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.306 1.843 . . . . 0.0 112.193 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -73.74 -40.69 63.34 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.0 76.6 39.22 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.983 1.313 . . . . 0.0 111.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.31 135.92 72.68 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.787 2.991 . . . . 0.0 113.29 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.0 mt -64.27 131.01 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.621 1.169 . . . . 0.0 108.998 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.79 135.4 57.76 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.348 0.594 . . . . 0.0 111.291 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.1 -87.58 1.29 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.59 1.09 . . . . 0.0 110.59 -176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 49.0 m -142.45 142.49 32.34 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.883 1.673 . . . . 0.0 111.607 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 mtm105 -71.17 116.29 11.31 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.048 0.939 . . . . 0.0 111.268 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -151.48 134.07 15.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.453 2.301 . . . . 0.0 110.04 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.95 106.95 17.5 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.075 0.94 . . . . 0.0 113.446 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 131.58 48.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.495 2.718 . . . . 0.0 107.476 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.5 161.33 41.86 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.29 -146.12 48.45 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.849 1.69 . . . . 0.0 114.489 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.53 -31.12 63.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.525 -0.985 . . . . 0.0 113.392 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.06 -34.89 58.58 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.221 1.008 . . . . 0.0 111.839 174.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 32.4 mt -57.02 -61.0 2.76 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -55.2 -43.32 74.32 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.346 1.458 . . . . 0.0 112.215 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -57.54 -48.43 79.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.603 1.161 . . . . 0.0 110.457 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.19 95.72 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.527 1.131 . . . . 0.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.19 -40.47 94.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.771 1.228 . . . . 0.0 113.226 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.6 -40.01 78.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.688 1.195 . . . . 0.0 113.713 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -52.72 -17.26 1.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.61 -37.57 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.575 1.55 . . . . 0.0 111.843 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.643 0.259 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.84 138.71 16.24 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.005 1.722 . . . . 0.0 111.541 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -62.89 -29.38 76.2 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.295 2.663 . . . . 0.0 114.396 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.8 -41.5 74.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.936 1.244 . . . . 0.0 110.534 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.13 -34.11 65.79 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.0 0.818 . . . . 0.0 111.66 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -57.1 -46.44 82.58 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.524 1.056 . . . . 0.0 110.765 173.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -55.82 -51.31 67.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.932 1.293 . . . . 0.0 110.839 174.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -54.59 -52.45 62.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.71 1.604 . . . . 0.0 111.052 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.49 -53.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.122 1.769 . . . . 0.0 110.059 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -47.56 -54.23 12.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.871 1.668 . . . . 0.0 111.716 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.8 -53.58 55.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.776 -1.107 . . . . 0.0 111.647 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.62 -43.26 65.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.808 1.64 . . . . 0.0 112.869 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.87 -59.33 4.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.369 1.867 . . . . 0.0 110.146 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.44 -43.64 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.776 1.23 . . . . 0.0 112.16 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.39 -51.0 71.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.372 0.987 . . . . 0.0 111.411 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.47 -43.19 83.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.831 1.652 . . . . 0.0 112.231 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.94 -51.7 67.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.437 1.095 . . . . 0.0 110.52 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -55.91 -47.39 77.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.318 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.79 -56.16 4.01 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.565 1.546 . . . . 0.0 113.068 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -68.95 -38.55 79.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.155 -0.966 . . . . 0.0 112.764 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -57.17 -43.2 82.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.743 1.156 . . . . 0.0 111.081 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.82 -50.24 69.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.552 2.741 . . . . 0.0 109.982 173.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -52.67 -45.1 66.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.007 1.723 . . . . 0.0 111.514 175.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -57.82 -53.39 58.77 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.28 1.432 . . . . 0.0 110.117 176.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -56.52 -51.09 69.84 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.081 1.352 . . . . 0.0 111.617 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.16 -45.99 72.2 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.471 1.908 . . . . 0.0 112.09 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.82 -49.71 67.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.194 0.997 . . . . 0.0 111.603 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.9 -57.59 12.12 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.435 1.494 . . . . 0.0 112.684 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -149.35 91.58 1.85 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.876 1.67 . . . . 0.0 110.983 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.05 69.39 3.33 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.642 1.115 . . . . 0.0 111.717 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.48 -83.52 0.37 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.049 1.74 . . . . 0.0 109.999 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.58 88.92 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.424 1.089 . . . . 0.0 108.352 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 150.61 46.25 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.671 1.189 . . . . 0.0 112.168 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.34 9.2 12.39 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.15 1.38 . . . . 0.0 112.572 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.15 141.13 49.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.652 1.581 . . . . 0.0 111.457 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 m -135.32 -46.89 0.7 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.263 1.825 . . . . 0.0 111.766 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 120.52 58.39 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.762 2.025 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -64.91 -37.95 31.79 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.82 2.346 . . . . 0.0 113.733 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -72.52 -9.61 58.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.055 1.742 . . . . 0.0 115.288 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 42.6 t -42.81 -57.06 2.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.488 1.915 . . . . 0.0 113.694 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -60.54 -29.73 69.32 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.6 m -62.97 -51.1 68.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.324 0.966 . . . . 0.0 108.516 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -38.17 76.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.3 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 43.9 mttp -61.04 -44.03 98.01 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.535 1.516 . . . . 0.0 111.848 174.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -60.6 -48.36 82.12 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 110.106 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.45 -54.39 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.832 1.653 . . . . 0.0 109.858 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.38 -54.05 19.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.523 2.729 . . . . 0.0 112.2 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -54.71 -45.15 73.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.459 1.103 . . . . 0.0 111.974 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.79 -47.96 70.49 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.629 -0.669 . . . . 0.0 110.544 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -48.02 5.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.123 2.569 . . . . 0.0 115.105 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.5 p -63.87 -51.04 66.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.817 1.247 . . . . 0.0 112.408 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -66.84 -44.82 80.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.952 1.701 . . . . 0.0 112.55 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.67 132.31 50.69 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.994 1.718 . . . . 0.0 111.553 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -118.53 -2.9 10.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.124 1.77 . . . . 0.0 112.762 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.89 82.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.995 1.318 . . . . 0.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.67 -99.59 0.08 OUTLIER Glycine 0 N--CA 1.471 1.025 0 C-N-CA 125.837 1.684 . . . . 0.0 113.166 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -55.14 -42.39 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.983 1.713 . . . . 0.0 111.412 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 -18.25 56.56 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.992 1.717 . . . . 0.0 115.543 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.91 122.26 17.79 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.009 1.277 . . . . 0.0 110.1 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -67.05 -26.35 66.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.673 1.189 . . . . 0.0 113.344 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.6 118.14 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.151 1.381 . . . . 0.0 110.254 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.27 2.24 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.603 1.561 . . . . 0.0 112.376 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -51.41 -44.84 62.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.924 1.69 . . . . 0.0 113.074 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.85 -51.34 70.42 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.557 1.543 . . . . 0.0 111.398 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.55 73.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.876 1.271 . . . . 0.0 112.386 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.5 p -67.45 -49.28 64.34 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -52.25 -38.97 59.69 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -61.53 -47.43 85.6 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.742 -1.224 . . . . 0.0 110.676 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -54.7 34.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.475 1.91 . . . . 0.0 112.45 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.19 -42.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.0 mm -71.47 -39.78 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.64 -0.663 . . . . 0.0 111.246 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -53.53 -47.74 69.7 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.056 0.942 . . . . 0.0 109.809 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.17 -63.17 1.36 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.249 1.02 . . . . 0.0 109.726 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.04 -46.17 52.83 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.21 -51.13 70.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.584 0.629 . . . . 0.0 112.425 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -70.35 -42.98 71.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.541 1.136 . . . . 0.0 114.062 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.47 130.79 44.11 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.543 1.537 . . . . 0.0 112.792 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -133.07 9.94 4.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.636 1.974 . . . . 0.0 111.766 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.77 119.61 8.51 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.463 1.505 . . . . 0.0 108.2 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -2.42 3.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.21 23.8 1.47 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.698 1.599 . . . . 0.0 114.814 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.3 135.11 93.52 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 120.127 1.33 . . . . 0.0 108.064 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -59.39 -11.83 14.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.223 3.282 . . . . 0.0 116.616 -175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.3 -51.96 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.413 1.006 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.01 -49.39 71.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.023 1.729 . . . . 0.0 113.134 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.86 -61.44 5.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-O 117.445 -1.264 . . . . 0.0 112.374 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.18 -38.76 74.27 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.965 1.777 . . . . 0.0 112.966 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.49 -45.91 90.34 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.169 0.895 . . . . 0.0 111.724 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.92 -55.47 32.59 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.703 1.201 . . . . 0.0 110.578 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -143.39 112.16 6.51 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.167 1.387 . . . . 0.0 112.652 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.24 -62.64 1.52 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.154 1.781 . . . . 0.0 107.2 172.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.1 m -76.3 134.32 39.78 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.202 1.401 . . . . 0.0 107.506 170.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -66.74 93.17 0.24 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.183 0.901 . . . . 0.0 111.939 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -70.24 132.97 46.55 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.171 1.388 . . . . 0.0 111.592 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.877 2.071 . . . . 0.0 111.766 179.718 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -63.14 119.76 10.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.83 0.852 . . . . 0.0 110.375 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 54.5 tp -141.26 -47.23 0.39 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.28 95.28 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.492 1.917 . . . . 0.0 108.809 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 56.7 m 49.29 53.33 12.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.772 1.629 . . . . 0.0 111.237 -170.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.25 138.13 4.19 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.821 1.649 . . . . 0.0 112.503 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 53.19 65.74 1.43 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.912 1.285 . . . . 0.0 109.564 -174.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -50.76 -39.81 53.24 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.777 1.231 . . . . 0.0 111.719 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.75 -40.98 0.37 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 128.15 2.786 . . . . 0.0 114.399 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -44.3 -59.12 2.53 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.265 2.226 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.1 m -81.53 -33.44 31.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.798 1.639 . . . . 0.0 112.254 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 94.3 mtp -58.29 -36.16 72.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.653 0.781 . . . . 0.0 111.94 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.88 -46.85 84.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.328 1.451 . . . . 0.0 111.765 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.39 -54.02 10.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.362 1.865 . . . . 0.0 112.474 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.2 m -75.05 -41.4 59.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 127.769 2.428 . . . . 0.0 115.466 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.84 -109.15 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 -171.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 mt -135.57 121.07 13.78 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.959 1.704 . . . . 0.0 107.295 170.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.53 -178.39 4.41 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.335 2.024 . . . . 0.0 111.765 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.17 57.61 1.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.479 1.512 . . . . 0.0 108.153 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.26 151.46 46.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.582 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.5 p -122.83 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.678 1.191 . . . . 0.0 110.749 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.7 p -54.11 -53.03 58.79 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 108.874 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.46 -57.44 8.99 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.833 1.653 . . . . 0.0 112.615 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -52.92 -51.92 59.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.012 0.824 . . . . 0.0 111.997 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 90.6 m -62.27 -47.36 84.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.128 0.971 . . . . 0.0 112.16 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.06 -45.93 75.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.06 1.344 . . . . 0.0 111.785 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -65.06 -51.48 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.387 1.875 . . . . 0.0 112.512 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.72 -33.57 46.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 71.9 40.46 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.474 1.51 . . . . 0.0 111.811 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.68 136.3 70.5 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.933 3.088 . . . . 0.0 113.763 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.24 129.92 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.791 1.237 . . . . 0.0 109.16 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -57.52 130.68 47.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.872 0.869 . . . . 0.0 111.3 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 93.76 -83.14 1.02 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.562 1.077 . . . . 0.0 110.751 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 33.7 m -145.84 145.33 30.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.437 1.495 . . . . 0.0 111.902 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -67.87 131.11 44.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 110.776 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -150.9 -179.24 7.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.625 2.37 . . . . 0.0 108.937 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 mt -134.34 103.87 5.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.411 1.484 . . . . 0.0 109.183 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.79 127.32 31.62 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.68 1.992 . . . . 0.0 107.896 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -135.46 160.36 38.7 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 57.35 -143.37 41.52 Favored Glycine 0 N--CA 1.47 0.904 0 C-N-CA 127.061 2.267 . . . . 0.0 115.832 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.54 -31.01 61.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.294 1.047 . . . . 0.0 113.821 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -54.8 -32.9 60.8 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.519 0.728 . . . . 0.0 111.905 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.81 -62.58 1.64 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.12 -47.43 71.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.572 1.149 . . . . 0.0 111.409 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.82 -49.54 68.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.868 1.267 . . . . 0.0 111.227 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.36 89.77 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.546 1.138 . . . . 0.0 111.524 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.92 -38.42 90.9 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.388 1.075 . . . . 0.0 113.222 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.75 -32.52 72.78 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.17 1.388 . . . . 0.0 114.528 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.41 -20.1 58.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.26 117.71 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.714 1.205 . . . . 0.0 110.658 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.754 1.222 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 140.71 15.68 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.883 1.273 . . . . 0.0 112.017 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -57.11 -38.6 95.16 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.253 2.636 . . . . 0.0 113.793 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.07 -44.82 91.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.53 1.059 . . . . 0.0 110.647 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.32 -34.86 71.07 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.519 -0.738 . . . . 0.0 111.07 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -64.72 -46.34 82.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.446 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -52.56 -50.98 61.86 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.855 1.207 . . . . 0.0 111.082 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.12 -51.03 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.356 1.463 . . . . 0.0 111.427 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.6 -52.9 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.338 1.455 . . . . 0.0 110.163 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -49.25 -54.38 17.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.769 1.627 . . . . 0.0 111.298 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -53.48 -60.19 3.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.282 1.433 . . . . 0.0 110.576 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -55.08 -38.93 68.71 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.18 -53.78 51.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.298 1.439 . . . . 0.0 109.492 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.33 -46.44 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.719 1.208 . . . . 0.0 111.269 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.78 -49.27 68.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.926 0.89 . . . . 0.0 111.627 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.0 tp -62.61 -45.19 94.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.147 1.379 . . . . 0.0 112.763 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.33 -47.62 83.15 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.928 -0.483 . . . . 0.0 110.298 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -57.52 -49.18 77.17 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.306 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.92 -50.87 10.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.016 1.726 . . . . 0.0 113.793 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -62.84 -48.41 79.17 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.402 -0.811 . . . . 0.0 111.362 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -42.64 75.85 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 119.178 0.899 . . . . 0.0 112.296 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.12 -54.62 37.01 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.266 2.226 . . . . 0.0 109.862 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -56.94 -54.3 48.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.018 1.327 . . . . 0.0 111.152 174.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -49.2 -53.0 23.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.079 2.152 . . . . 0.0 111.839 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.67 -57.17 13.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 0.0 110.682 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -53.17 -47.08 69.11 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.216 1.406 . . . . 0.0 112.072 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -47.98 83.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.66 1.184 . . . . 0.0 111.538 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.96 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.665 1.186 . . . . 0.0 112.324 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -147.32 118.83 7.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.453 1.901 . . . . 0.0 110.945 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.96 153.47 52.13 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 123.791 0.71 . . . . 0.0 112.978 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.51 156.6 46.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.165 1.386 . . . . 0.0 112.375 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -53.01 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.123 0.969 . . . . 0.0 109.014 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -154.51 96.8 1.94 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.719 2.007 . . . . 0.0 110.239 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -51.54 8.73 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.707 0.803 . . . . 0.0 111.17 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.81 139.16 57.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.009 2.124 . . . . 0.0 113.724 -177.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -133.81 25.14 4.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.642 1.977 . . . . 0.0 112.825 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.6 mt -128.0 107.36 20.04 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 126.428 1.891 . . . . 0.0 109.688 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -46.04 -50.52 9.76 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 124.158 3.238 . . . . 0.0 115.137 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -77.73 0.13 24.73 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.44 -41.89 86.13 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.229 0.922 . . . . 0.0 108.932 170.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -50.0 -49.6 50.1 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.122 1.369 . . . . 0.0 110.771 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 m -55.63 -57.44 11.97 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.385 1.474 . . . . 0.0 109.762 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mmt -57.85 -43.5 85.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -59.58 -45.1 92.86 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.753 1.615 . . . . 0.0 112.029 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.17 -49.88 75.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.632 0.773 . . . . 0.0 110.461 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.47 -49.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.188 1.795 . . . . 0.0 111.242 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.95 -58.4 6.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.201 2.601 . . . . 0.0 110.361 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -50.9 -48.82 60.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.421 1.088 . . . . 0.0 111.559 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.23 -54.12 48.22 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.479 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -56.31 -29.62 61.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.25 92.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.884 1.22 . . . . 0.0 112.146 174.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -78.03 -52.53 8.64 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.234 1.414 . . . . 0.0 111.442 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.31 135.41 56.48 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.024 2.13 . . . . 0.0 111.109 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -114.36 -0.68 13.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.58 1.152 . . . . 0.0 112.659 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.06 -76.01 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 111.768 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 -66.34 1.94 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.928 1.252 . . . . 0.0 112.297 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.63 -49.86 73.74 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.615 1.966 . . . . 0.0 111.548 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.11 -12.15 26.98 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.216 1.807 . . . . 0.0 115.202 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -63.0 132.85 53.41 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.244 0.929 . . . . 0.0 110.62 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.03 -34.23 77.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.241 1.416 . . . . 0.0 113.662 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.57 124.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.029 1.332 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.28 1.79 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.11 1.364 . . . . 0.0 112.694 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -54.63 -35.58 63.61 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.348 1.859 . . . . 0.0 114.844 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.28 -46.33 69.24 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.874 2.07 . . . . 0.0 111.429 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.18 -55.57 17.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.354 1.061 . . . . 0.0 111.261 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -53.91 -56.32 18.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.185 1.794 . . . . 0.0 113.451 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 p -53.22 -39.41 63.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.06 1.744 . . . . 0.0 113.34 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.8 -50.45 68.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.313 0.96 . . . . 0.0 109.539 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -54.62 25.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.117 1.767 . . . . 0.0 113.414 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.32 -45.94 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 118.806 0.73 . . . . 0.0 112.645 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.43 -39.33 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.428 0.691 . . . . 0.0 111.534 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.1 m -54.24 -51.41 64.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.948 1.299 . . . . 0.0 110.05 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -58.72 -60.49 3.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.599 0.76 . . . . 0.0 109.816 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -51.39 -45.05 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -45.24 93.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 111.747 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.78 -49.49 25.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.32 125.73 24.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 112.988 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -135.43 24.63 3.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.545 1.938 . . . . 0.0 110.395 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.406 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 18.5 ttm-85 -61.96 142.31 57.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.696 2.398 . . . . 0.0 111.607 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -65.04 -19.4 65.97 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.85 31.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.406 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.4 t -65.33 136.53 96.41 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 120.406 1.457 . . . . 0.0 107.317 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -59.99 -11.73 16.43 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 124.026 3.151 . . . . 0.0 116.741 -175.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.3 -49.54 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.497 1.044 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 m -56.17 -48.21 76.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.801 1.64 . . . . 0.0 112.761 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.95 -61.94 4.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.061 -1.447 . . . . 0.0 112.838 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -58.04 -35.62 98.61 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.497 2.131 . . . . 0.0 113.748 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.45 -48.48 64.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.006 0.923 . . . . 0.0 111.793 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -60.8 -51.63 68.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.122 1.769 . . . . 0.0 111.473 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -131.69 95.0 3.62 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.178 1.791 . . . . 0.0 110.922 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.71 103.13 11.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -62.3 107.98 1.01 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.828 1.251 . . . . 0.0 112.018 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -147.69 121.52 9.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.18 1.792 . . . . 0.0 110.936 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.99 112.17 8.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.427 1.891 . . . . 0.0 109.494 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.38 2.272 . . . . 0.0 111.507 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.579 0.228 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -145.59 161.56 39.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.877 1.671 . . . . 0.0 111.156 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 49.9 tp -113.46 -42.67 3.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.032 1.733 . . . . 0.0 112.56 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.52 41.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.493 1.117 . . . . 0.0 112.754 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 91.8 m -130.08 76.91 1.75 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.743 2.017 . . . . 0.0 106.811 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -38.59 -47.88 1.37 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.581 2.352 . . . . 0.0 112.597 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.67 96.38 4.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 127.009 2.124 . . . . 0.0 107.458 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.89 -37.48 76.69 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.387 0.675 . . . . 0.0 111.744 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -40.61 -39.7 1.87 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 127.085 2.279 . . . . 0.0 113.827 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -42.5 -62.0 1.08 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.124 2.169 . . . . 0.0 112.487 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 75.0 m -77.12 -40.77 44.58 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.769 2.027 . . . . 0.0 112.223 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 90.5 mtp -56.23 -39.13 72.04 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.166 0.986 . . . . 0.0 112.004 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.94 -42.72 90.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.579 1.552 . . . . 0.0 112.927 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.28 -46.31 80.98 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.0 m -135.18 -6.5 2.32 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 117.624 2.453 . . . . 0.0 117.624 -172.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.91 -104.26 1.29 Allowed Glycine 0 N--CA 1.47 0.908 0 CA-C-N 120.195 1.362 . . . . 0.0 111.342 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.54 118.12 8.84 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.716 1.606 . . . . 0.0 108.858 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -81.43 -173.88 1.98 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.989 3.126 . . . . 0.0 112.671 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.32 66.21 1.0 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.911 1.684 . . . . 0.0 108.315 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.24 168.55 15.56 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.092 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 70.0 p -136.98 174.2 10.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.432 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.9 p -52.3 -55.5 21.01 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.103 1.361 . . . . 0.0 109.0 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -50.23 -61.54 2.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.43 1.492 . . . . 0.0 112.359 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.74 -50.82 65.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.9 0.773 . . . . 0.0 112.869 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.89 -49.9 73.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.569 0.748 . . . . 0.0 112.168 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.61 -42.74 83.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.778 1.231 . . . . 0.0 111.602 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.94 -51.26 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.988 1.715 . . . . 0.0 111.871 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -71.9 -39.18 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.36 74.59 60.61 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.392 1.077 . . . . 0.0 112.215 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.14 140.11 86.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.911 3.074 . . . . 0.0 113.774 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.6 mt -69.45 128.42 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.791 1.236 . . . . 0.0 108.241 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.98 -47.2 84.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -83.29 176.05 52.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.675 1.131 . . . . 0.0 113.189 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -65.04 -20.04 66.29 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.102 1.361 . . . . 0.0 114.26 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.39 161.01 17.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -127.7 -140.23 0.25 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.01 1.324 . . . . 0.0 109.636 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.73 111.75 1.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.646 1.566 . . . . 0.0 114.245 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 135.98 57.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 130.346 3.458 . . . . 0.0 108.866 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -125.21 159.24 32.06 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.867 1.802 . . . . 0.0 115.867 -173.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 38.54 -128.94 1.82 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 128.379 2.895 . . . . 0.0 117.642 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.03 -38.6 57.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.977 1.311 . . . . 0.0 113.747 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -56.54 -31.7 64.4 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.931 0.893 . . . . 0.0 112.138 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.75 -60.96 2.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.149 0.886 . . . . 0.0 108.899 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.01 -40.8 81.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.641 0.776 . . . . 0.0 111.708 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -57.36 -48.83 78.0 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.873 0.869 . . . . 0.0 110.852 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.98 86.92 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.46 1.104 . . . . 0.0 111.046 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.1 -38.76 92.46 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.097 -1.002 . . . . 0.0 113.037 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.56 -31.68 73.01 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.168 1.387 . . . . 0.0 113.717 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.87 -23.36 43.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.685 1.194 . . . . 0.0 114.091 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 33.2 t -62.35 -48.75 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.366 1.867 . . . . 0.0 112.199 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.3 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.935 2.494 . . . . 0.0 113.493 -172.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -140.3 133.28 14.88 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.351 1.46 . . . . 0.0 111.827 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.68 -45.67 26.97 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.169 3.246 . . . . 0.0 115.086 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.12 -43.64 98.57 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 111.47 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -62.85 -30.69 71.69 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.374 -0.828 . . . . 0.0 111.847 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -65.21 -40.43 94.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.286 0.948 . . . . 0.0 110.287 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -59.08 -44.05 91.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.189 0.996 . . . . 0.0 110.809 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.27 -52.05 67.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -55.08 -51.99 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.744 1.217 . . . . 0.0 110.118 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.95 -53.8 14.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.042 1.737 . . . . 0.0 111.7 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -53.72 -59.01 5.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.49 1.116 . . . . 0.0 110.484 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.03 -38.71 68.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.17 -58.97 5.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.096 1.758 . . . . 0.0 109.155 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.705 1.202 . . . . 0.0 111.942 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.94 -48.24 80.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.617 1.099 . . . . 0.0 112.153 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.3 -45.5 93.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.713 1.205 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.69 -48.84 79.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.941 0.497 . . . . 0.0 110.602 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.42 -52.33 59.73 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.351 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.02 -47.63 3.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.546 1.538 . . . . 0.0 114.686 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -78.63 -46.65 18.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.821 1.248 . . . . 0.0 112.31 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -50.96 -51.2 54.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.916 1.286 . . . . 0.0 110.731 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.56 -56.55 8.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.469 3.108 . . . . 0.0 111.221 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.7 -51.45 63.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.207 1.003 . . . . 0.0 110.812 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -55.03 -50.46 69.0 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -57.5 -51.67 68.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 111.289 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -57.33 -46.77 82.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.295 1.438 . . . . 0.0 111.746 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -64.24 -46.65 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.344 1.058 . . . . 0.0 111.716 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.99 75.35 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.227 1.411 . . . . 0.0 112.405 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.49 97.24 3.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.085 1.354 . . . . 0.0 111.23 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.8 76.14 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.502 1.049 . . . . 0.0 111.236 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -138.75 -79.85 0.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.983 1.713 . . . . 0.0 109.599 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -81.24 127.87 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -55.59 121.16 8.45 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.453 0.701 . . . . 0.0 110.463 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.49 74.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.902 . . . . 0.0 112.95 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.15 146.23 54.59 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.85 1.66 . . . . 0.0 115.113 -174.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.3 p -135.73 -58.87 0.77 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.445 2.298 . . . . 0.0 111.998 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.2 138.44 94.47 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.706 2.002 . . . . 0.0 112.121 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.41 -55.05 0.4 Allowed 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.892 2.395 . . . . 0.0 113.823 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -71.76 3.86 3.76 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 t -50.49 -48.22 56.87 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.122 0.874 . . . . 0.0 110.332 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -50.56 -41.72 54.51 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 174.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -58.73 -56.2 25.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 108.522 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -36.16 73.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.077 . . . . 0.0 112.957 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -63.52 -46.56 85.45 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.25 1.841 . . . . 0.0 112.046 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -57.68 -47.47 82.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.485 0.714 . . . . 0.0 109.865 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.52 -58.5 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.152 1.781 . . . . 0.0 110.056 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -44.21 -56.2 4.28 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.945 2.898 . . . . 0.0 112.13 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -51.55 -57.89 7.83 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.281 1.032 . . . . 0.0 111.163 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -57.11 -46.72 82.39 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -45.93 19.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.999 2.12 . . . . 0.0 112.954 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -43.7 96.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.734 0.813 . . . . 0.0 112.91 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -71.99 -41.7 67.33 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.377 1.071 . . . . 0.0 112.308 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.8 t -60.52 146.9 43.25 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.143 2.177 . . . . 0.0 111.991 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -131.92 -1.14 3.76 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.695 1.598 . . . . 0.0 112.982 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.46 -69.8 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.288 1.035 . . . . 0.0 111.697 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.0 -73.14 1.29 Allowed Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.875 1.226 . . . . 0.0 112.743 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -56.76 -44.93 82.24 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.993 1.717 . . . . 0.0 111.748 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.22 -5.54 24.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.5 t -66.6 124.94 24.21 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.223 1.374 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.73 -30.7 71.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.828 1.251 . . . . 0.0 113.504 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.33 113.99 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.832 1.253 . . . . 0.0 110.042 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.03 -56.17 6.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.444 1.897 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -61.57 -44.69 96.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.094 1.357 . . . . 0.0 113.52 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.26 -50.69 70.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.307 1.443 . . . . 0.0 110.835 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.1 13.55 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.01 . . . . 0.0 110.234 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -57.54 -51.77 68.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.822 2.449 . . . . 0.0 115.924 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 p -53.38 -30.27 38.93 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.208 1.803 . . . . 0.0 114.867 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -59.71 -54.4 46.84 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.088 -1.008 . . . . 0.0 111.812 173.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.0 -48.64 70.2 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.209 1.004 . . . . 0.0 113.362 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 pt -53.71 -44.7 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.093 0.86 . . . . 0.0 112.203 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.2 mm -73.5 -42.05 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.56 0.744 . . . . 0.0 111.494 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 m -52.67 -52.44 55.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.782 1.233 . . . . 0.0 110.648 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -58.96 -60.9 3.13 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.299 1.04 . . . . 0.0 109.431 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -48.68 -46.64 40.58 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -64.73 -47.84 76.79 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.661 -0.649 . . . . 0.0 112.492 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -67.19 -40.88 86.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.4 t -57.36 132.97 54.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.077 1.751 . . . . 0.0 113.86 -175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 p -131.63 4.76 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 127.286 2.234 . . . . 0.0 111.963 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.84 120.43 9.55 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.458 1.503 . . . . 0.0 108.98 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -2.84 6.95 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.14 23.86 1.66 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.539 1.535 . . . . 0.0 114.696 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.94 136.52 95.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 119.682 1.128 . . . . 0.0 108.301 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -56.77 -21.53 40.34 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.78 2.987 . . . . 0.0 116.491 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.63 -50.2 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.493 1.042 . . . . 0.0 111.376 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -55.91 -48.83 74.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.095 1.758 . . . . 0.0 112.8 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.08 -62.94 2.77 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.321 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -58.15 -41.28 68.98 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.075 1.85 . . . . 0.0 113.305 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 -44.26 91.66 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.405 -0.809 . . . . 0.0 111.951 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -63.82 -57.19 10.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.846 1.258 . . . . 0.0 110.678 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -146.27 122.82 11.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.717 1.607 . . . . 0.0 112.322 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.87 115.99 13.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.865 1.266 . . . . 0.0 110.123 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.9 m -63.64 161.27 15.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.412 1.085 . . . . 0.0 110.948 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.16 112.35 1.87 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.378 -0.826 . . . . 0.0 111.681 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.72 153.8 44.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.194 2.197 . . . . 0.0 110.749 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.545 1.938 . . . . 0.0 110.335 178.41 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.673 0.273 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -145.61 160.56 41.49 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.266 1.826 . . . . 0.0 110.65 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -116.53 -47.23 2.74 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.919 1.687 . . . . 0.0 111.121 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -39.51 -57.59 1.42 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.661 1.985 . . . . 0.0 113.069 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 77.3 m -132.52 68.22 1.51 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -44.59 137.06 4.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.574 1.55 . . . . 0.0 112.015 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 mp 51.7 68.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.035 1.334 . . . . 0.0 110.213 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.48 -35.38 60.51 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.546 0.739 . . . . 0.0 111.153 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -39.37 -36.91 0.68 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 127.548 2.499 . . . . 0.0 113.9 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -47.29 -63.75 0.96 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.701 2.0 . . . . 0.0 112.032 174.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 66.2 m -71.03 -38.79 72.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.44 1.896 . . . . 0.0 112.173 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 81.6 mtp -60.22 -35.55 75.69 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.681 0.792 . . . . 0.0 111.459 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.43 -47.39 76.38 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.948 1.299 . . . . 0.0 111.388 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.26 -49.22 76.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.158 1.383 . . . . 0.0 114.319 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -127.88 -5.73 5.65 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 -171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 67.68 -109.86 3.14 Favored Glycine 0 N--CA 1.47 0.903 0 CA-C-N 120.06 1.3 . . . . 0.0 111.259 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.41 112.96 19.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.501 1.52 . . . . 0.0 107.831 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.38 173.39 14.36 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.03 2.487 . . . . 0.0 114.049 -173.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -119.9 69.07 0.84 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.101 1.76 . . . . 0.0 107.635 172.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.22 173.01 6.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.329 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -138.73 168.6 19.44 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.265 -0.897 . . . . 0.0 110.353 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.1 p -53.95 -53.14 56.86 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.803 0.841 . . . . 0.0 109.384 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.75 -56.3 14.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.383 1.473 . . . . 0.0 112.024 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.69 -52.95 44.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.474 0.71 . . . . 0.0 111.859 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.4 m -61.74 -48.87 78.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.719 0.808 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.12 -37.37 69.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.937 1.295 . . . . 0.0 112.436 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.91 -53.0 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.841 2.057 . . . . 0.0 112.456 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -75.82 -32.79 59.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.092 1.357 . . . . 0.0 114.185 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.22 72.63 59.16 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.204 1.402 . . . . 0.0 110.85 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.53 143.11 95.34 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.314 2.676 . . . . 0.0 111.862 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.4 mt -65.23 145.21 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 124.169 0.987 . . . . 0.0 108.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -55.94 -47.83 76.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.831 0.852 . . . . 0.0 112.374 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -92.24 -163.68 38.0 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.085 1.326 . . . . 0.0 111.153 175.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 37.7 m -58.43 134.0 56.26 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.195 -1.18 . . . . 0.0 110.716 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -57.31 115.47 2.71 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.205 0.602 . . . . 0.0 111.359 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -148.02 128.05 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.363 2.265 . . . . 0.0 108.721 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 mt -88.22 104.2 16.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.958 0.885 . . . . 0.0 112.826 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 118.19 7.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.868 2.467 . . . . 0.0 107.759 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -150.69 166.73 29.48 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.116 0.966 . . . . 0.0 113.192 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.62 -148.54 33.87 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.097 1.332 . . . . 0.0 112.934 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.9 -32.51 61.06 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.993 1.397 . . . . 0.0 113.015 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -51.18 -34.52 31.98 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.948 1.299 . . . . 0.0 112.402 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.86 -62.04 2.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.147 0.979 . . . . 0.0 109.298 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.48 -40.71 75.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.22 1.008 . . . . 0.0 111.298 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.2 -47.34 83.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.688 1.195 . . . . 0.0 110.677 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.13 -46.54 83.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.458 1.103 . . . . 0.0 111.68 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.65 -34.28 77.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.619 1.167 . . . . 0.0 112.095 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.64 -42.32 98.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.551 1.541 . . . . 0.0 113.06 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -52.59 -17.95 1.51 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.44 -37.05 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.921 1.688 . . . . 0.0 111.857 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.751 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.492 0.187 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -142.24 136.61 15.0 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.623 1.569 . . . . 0.0 111.673 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -52.96 -54.27 5.37 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.558 2.838 . . . . 0.0 113.559 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -62.35 -40.42 96.35 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.38 -0.825 . . . . 0.0 112.158 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.02 -38.2 72.81 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.03 1.286 . . . . 0.0 110.937 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -62.88 -46.04 89.71 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.337 0.972 . . . . 0.0 110.494 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.61 -47.07 73.86 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.603 1.161 . . . . 0.0 111.468 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.95 -48.15 82.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.58 1.552 . . . . 0.0 111.16 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.66 -49.57 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.164 1.386 . . . . 0.0 110.157 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -51.13 -51.23 55.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.654 1.582 . . . . 0.0 110.945 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -53.91 50.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.034 0.934 . . . . 0.0 110.722 175.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -58.53 -40.83 84.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.57 -55.7 28.88 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.134 1.774 . . . . 0.0 108.826 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.34 -53.64 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.27 1.428 . . . . 0.0 112.57 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.03 -42.2 80.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.952 1.251 . . . . 0.0 111.899 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.17 -47.63 83.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 0.0 111.797 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 mt -58.77 -50.7 72.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.932 0.893 . . . . 0.0 110.097 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.5 -51.42 62.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.115 1.366 . . . . 0.0 110.685 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.08 -45.54 8.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.242 1.417 . . . . 0.0 113.909 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -72.23 -49.13 37.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.328 1.051 . . . . 0.0 111.835 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -52.65 -45.2 66.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.968 1.307 . . . . 0.0 111.087 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.33 -48.44 78.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.475 2.71 . . . . 0.0 111.408 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.08 -43.98 78.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.019 -1.051 . . . . 0.0 111.119 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -62.61 -50.24 72.05 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.127 0.971 . . . . 0.0 110.813 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -51.92 -53.99 34.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.18 1.792 . . . . 0.0 111.368 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.89 -50.33 57.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.233 1.813 . . . . 0.0 112.091 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.98 -46.34 88.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.987 1.315 . . . . 0.0 111.825 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.46 -57.48 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.959 1.304 . . . . 0.0 112.02 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -152.21 111.23 3.85 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.34 1.856 . . . . 0.0 110.775 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.26 178.78 44.25 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.987 1.28 . . . . 0.0 112.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -150.21 -76.46 0.15 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.007 1.323 . . . . 0.0 110.731 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.72 -66.58 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.852 1.261 . . . . 0.0 108.609 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -146.54 116.09 7.14 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.804 2.042 . . . . 0.0 110.471 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -7.46 53.63 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.655 1.182 . . . . 0.0 111.386 172.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.98 169.49 8.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 129.75 3.22 . . . . 0.0 115.251 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -137.16 -12.13 1.66 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.15 2.58 . . . . 0.0 114.338 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.02 128.54 25.33 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-N 120.124 1.329 . . . . 0.0 113.503 -172.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.87 -54.52 5.32 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.097 3.198 . . . . 0.0 115.536 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -80.22 1.68 27.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.3 t -49.12 -46.06 44.44 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.514 1.052 . . . . 0.0 111.38 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -49.62 -47.63 49.56 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.444 1.898 . . . . 0.0 112.472 174.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -56.46 -54.24 48.09 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.671 1.188 . . . . 0.0 109.404 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -39.43 88.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.127 -0.94 . . . . 0.0 112.652 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.27 -47.54 85.54 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.876 1.671 . . . . 0.0 111.346 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -57.04 -47.84 79.97 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.164 0.586 . . . . 0.0 110.251 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.12 -48.56 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.587 1.555 . . . . 0.0 111.169 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.31 -49.71 66.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.795 2.438 . . . . 0.0 111.845 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -59.45 -43.6 93.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.127 . . . . 0.0 111.751 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.66 -52.41 45.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.565 0.746 . . . . 0.0 111.212 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 mtp -39.97 -52.48 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.341 2.657 . . . . 0.0 114.424 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 p -59.06 -47.05 86.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.052 0.941 . . . . 0.0 112.774 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -72.88 -43.14 62.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.742 1.617 . . . . 0.0 112.946 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.7 t -60.11 120.79 10.4 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.646 1.978 . . . . 0.0 113.317 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -101.16 -10.48 20.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.477 1.511 . . . . 0.0 113.577 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.78 88.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.281 1.432 . . . . 0.0 113.499 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.1 -107.82 1.63 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.749 1.166 . . . . 0.0 112.761 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -57.15 -40.91 78.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.16 62.37 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.07 127.19 30.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.81 1.186 . . . . 0.0 110.79 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.78 -30.49 71.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.259 1.424 . . . . 0.0 113.817 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.54 118.47 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 110.622 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.63 -57.02 6.88 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.943 1.697 . . . . 0.0 113.107 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.79 -43.85 94.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.537 1.535 . . . . 0.0 113.116 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.76 -47.08 83.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.348 1.459 . . . . 0.0 111.901 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -56.07 18.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.497 0.719 . . . . 0.0 110.026 175.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.2 m -54.39 -53.37 54.89 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.472 2.309 . . . . 0.0 115.145 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -45.12 -45.07 11.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.405 2.282 . . . . 0.0 114.438 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -55.78 -41.01 73.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.765 0.826 . . . . 0.0 111.752 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.97 -51.45 54.98 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.802 1.183 . . . . 0.0 112.451 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -53.58 -44.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.652 1.114 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mm -70.64 -39.15 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -53.94 -53.63 50.07 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.641 0.655 . . . . 0.0 110.078 173.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -54.16 -64.78 0.72 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.254 1.021 . . . . 0.0 111.137 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -50.37 -48.12 55.93 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -66.78 -41.68 87.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -71.71 -41.02 69.09 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.3 t -57.14 129.7 42.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.277 1.831 . . . . 0.0 113.467 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.7 p -127.0 12.48 7.2 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.068 2.147 . . . . 0.0 112.155 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -64.63 139.58 58.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.985 1.714 . . . . 0.0 110.943 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -72.01 -23.21 61.36 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.98 34.99 1.56 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.55 136.96 96.95 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.69 -10.01 12.99 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.381 3.387 . . . . 0.0 117.119 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -126.42 -52.73 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.311 1.045 . . . . 0.0 110.267 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.83 -46.44 71.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.545 1.538 . . . . 0.0 112.328 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.66 -62.56 5.63 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-O 117.283 -1.341 . . . . 0.0 112.307 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -53.24 -41.02 75.52 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.081 1.779 . . . . 0.0 112.67 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.18 -57.92 10.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.756 0.823 . . . . 0.0 112.269 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -58.82 -35.96 73.73 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.953 1.252 . . . . 0.0 112.847 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -65.97 -51.56 57.38 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.158 1.383 . . . . 0.0 111.199 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.05 94.99 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.168 . . . . 0.0 112.499 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -56.07 120.3 7.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.094 1.757 . . . . 0.0 111.961 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -73.12 93.14 1.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.547 0.739 . . . . 0.0 111.001 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -139.02 155.48 47.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.497 2.319 . . . . 0.0 110.981 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.279 1.431 . . . . 0.0 112.416 178.559 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.029 0.442 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -148.8 107.91 3.9 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.68 1.592 . . . . 0.0 109.946 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -154.89 -59.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.791 1.636 . . . . 0.0 109.78 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 35.04 60.33 0.67 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.287 2.635 . . . . 0.0 114.331 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 36.5 m 45.3 34.18 1.41 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.517 2.327 . . . . 0.0 114.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 0.4 81.16 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 130.577 3.551 . . . . 0.0 115.223 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 26.4 mt -75.55 144.41 41.91 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.342 1.457 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.0 128.13 39.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.226 1.811 . . . . 0.0 109.519 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.83 32.94 84.39 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.157 0.884 . . . . 0.0 111.17 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -39.55 83.9 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.629 1 C-N-CA 131.726 4.01 . . . . 0.0 114.252 -174.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 68.2 m 57.86 4.82 0.3 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.291 1.436 . . . . 0.0 114.217 -173.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 21.2 mmt -67.73 -36.35 80.43 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.068 1.747 . . . . 0.0 109.079 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.18 -41.36 75.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.797 2.039 . . . . 0.0 111.097 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.14 -60.94 2.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.519 1.527 . . . . 0.0 111.257 175.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.2 p -164.96 -54.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.614 1.566 . . . . 0.0 112.543 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.02 -60.71 0.19 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.201 2.334 . . . . 0.0 111.163 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.11 141.13 18.8 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.287 1.835 . . . . 0.0 111.081 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -83.65 177.42 6.29 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.709 2.939 . . . . 0.0 113.004 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -120.33 66.22 0.83 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.743 1.617 . . . . 0.0 108.32 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.9 mt -68.28 165.37 18.67 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 66.4 p -137.9 166.65 23.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.494 1.118 . . . . 0.0 110.436 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p -52.22 -50.31 62.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.836 0.855 . . . . 0.0 110.265 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -51.52 -57.71 8.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.651 1.58 . . . . 0.0 111.882 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -52.41 -52.38 54.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.693 0.797 . . . . 0.0 112.119 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.04 -50.15 75.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.304 1.042 . . . . 0.0 112.417 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -49.61 73.22 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.426 1.091 . . . . 0.0 111.749 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.9 t -59.98 -52.39 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.573 1.949 . . . . 0.0 112.492 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -73.48 -37.06 65.87 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.62 75.15 69.24 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.976 0.91 . . . . 0.0 112.484 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -51.62 126.96 21.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.26 3.306 . . . . 0.0 113.416 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 18.8 mt -71.81 129.59 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.31 1.444 . . . . 0.0 110.237 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.64 158.39 32.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 111.85 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.65 -135.09 26.51 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 120.803 -1.185 . . . . 0.0 112.97 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -134.72 66.14 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.603 1.161 . . . . 0.0 113.057 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -142.84 162.52 35.24 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.323 2.249 . . . . 0.0 110.135 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -141.56 -44.98 0.36 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.85 0.86 . . . . 0.0 113.244 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.12 135.64 54.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.505 1.122 . . . . 0.0 110.868 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 114.84 21.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 130.143 3.377 . . . . 0.0 105.239 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -148.32 166.71 27.22 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 -142.28 35.17 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.039 1.304 . . . . 0.0 112.956 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.77 -35.77 61.66 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.143 0.972 . . . . 0.0 112.769 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.31 -38.4 52.76 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.007 1.323 . . . . 0.0 112.389 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.7 mt -54.88 -63.52 1.13 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.504 1.121 . . . . 0.0 109.228 177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.27 -43.23 70.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.679 1.191 . . . . 0.0 111.519 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -56.18 -49.68 73.34 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.302 1.041 . . . . 0.0 110.935 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.77 78.1 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 112.099 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.93 -42.05 88.82 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.556 1.071 . . . . 0.0 111.799 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.92 -27.93 69.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.175 1.39 . . . . 0.0 114.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.31 -13.64 14.0 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.62 -59.62 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.877 1.271 . . . . 0.0 110.048 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.144 0 C-N-CA 128.347 2.659 . . . . 0.0 114.701 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.556 0.217 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.78 137.47 15.16 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.769 1.628 . . . . 0.0 111.024 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.7 -38.46 71.35 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.888 2.392 . . . . 0.0 113.513 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.49 -34.12 73.86 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.725 -1.234 . . . . 0.0 111.423 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.12 -41.53 98.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.885 -1.134 . . . . 0.0 109.499 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.51 -45.99 87.65 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.832 173.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -51.74 -50.38 60.7 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 119.822 1.192 . . . . 0.0 111.109 172.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.68 -47.28 85.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.611 1.165 . . . . 0.0 111.69 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.44 -46.78 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.39 1.476 . . . . 0.0 110.738 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.24 -54.81 22.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.919 1.288 . . . . 0.0 110.931 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.298 4.6 pp0? -63.06 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.262 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -53.1 -47.19 68.77 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.824 1.647 . . . . 0.0 111.399 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.78 -57.86 10.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.118 1.767 . . . . 0.0 109.482 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.53 -48.96 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.306 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.02 -46.96 86.88 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.598 1.09 . . . . 0.0 112.041 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.22 -45.1 92.01 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 110.94 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.95 -47.07 87.32 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.827 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 22' ' ' CYS . 35.7 t-80 -51.97 -52.01 53.36 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.115 0.87 . . . . 0.0 110.785 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.0 5.75 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.308 1.043 . . . . 0.0 113.134 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -73.22 -41.91 63.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.477 0.711 . . . . 0.0 112.656 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.81 -52.44 56.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.44 1.496 . . . . 0.0 111.028 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 38.9 t . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 129.168 2.987 . . . . 0.0 110.017 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.5 t -47.01 -52.83 13.87 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 112.487 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -52.96 -41.43 64.52 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.675 1.19 . . . . 0.0 113.117 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -59.5 -51.95 67.66 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.55 0.74 . . . . 0.0 109.398 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.72 -36.11 79.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.946 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -60.64 -43.08 97.98 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 120.9 1.682 . . . . 0.0 111.108 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.92 -47.18 87.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.545 0.738 . . . . 0.0 110.086 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.8 -48.24 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 0.0 110.474 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.17 -52.45 51.85 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.44 2.296 . . . . 0.0 111.622 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -55.86 -48.31 75.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.579 1.152 . . . . 0.0 111.454 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.3 -51.82 68.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.811 0.845 . . . . 0.0 111.423 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.9 mtp -46.1 -48.54 17.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.829 1.652 . . . . 0.0 114.256 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.8 -40.83 98.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.982 0.913 . . . . 0.0 113.12 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.52 -50.95 14.12 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.885 1.274 . . . . 0.0 112.449 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.65 142.25 58.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.064 1.746 . . . . 0.0 111.245 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -130.17 0.8 4.67 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.528 1.931 . . . . 0.0 112.687 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -38.22 78.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.289 1.436 . . . . 0.0 113.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.4 -98.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.987 1.755 . . . . 0.0 113.883 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -54.57 -42.81 71.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.463 1.505 . . . . 0.0 111.424 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.6 56.44 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.961 1.704 . . . . 0.0 115.134 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.53 120.18 13.54 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.702 1.137 . . . . 0.0 110.268 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -68.72 -24.9 64.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.768 1.227 . . . . 0.0 113.341 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.8 t -64.31 119.71 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.261 1.424 . . . . 0.0 110.977 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.55 -53.44 14.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.227 1.811 . . . . 0.0 112.092 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -55.1 -54.06 47.94 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 0.0 113.249 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.8 t -55.28 -55.42 31.62 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.155 1.382 . . . . 0.0 111.039 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -45.78 66.14 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.634 1.173 . . . . 0.0 112.681 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.0 m -70.39 -55.91 7.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.574 1.549 . . . . 0.0 113.477 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -52.43 -44.02 65.19 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.046 2.138 . . . . 0.0 114.192 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.37 -46.65 85.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.067 -1.021 . . . . 0.0 110.184 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -55.64 32.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.148 1.779 . . . . 0.0 112.477 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.87 -46.96 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.346 0.975 . . . . 0.0 112.895 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.39 -40.39 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 118.508 0.594 . . . . 0.0 111.037 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.0 m -55.03 -48.11 73.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.648 0.779 . . . . 0.0 110.7 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -58.11 -63.06 1.39 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.782 0.833 . . . . 0.0 109.644 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -50.86 -44.29 59.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -59.51 -51.74 68.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.263 1.425 . . . . 0.0 112.14 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -73.11 -41.66 63.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.28 121.63 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.923 1.689 . . . . 0.0 112.81 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -134.53 23.2 3.7 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.411 2.285 . . . . 0.0 110.36 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -63.65 149.38 46.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 128.669 2.788 . . . . 0.0 111.995 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -48.97 -55.92 10.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.618 1.567 . . . . 0.0 111.133 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -147.71 123.56 10.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.633 1.573 . . . . 0.0 111.036 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.86 142.6 42.73 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 128.009 2.523 . . . . 0.0 105.776 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -61.69 -4.68 4.81 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.987 3.124 . . . . 0.0 116.874 -175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.62 -52.51 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.616 1.098 . . . . 0.0 110.502 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.81 -52.13 51.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.872 2.069 . . . . 0.0 112.772 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.6 -61.88 4.95 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.879 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -58.14 -35.85 98.38 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.266 1.977 . . . . 0.0 113.222 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.54 -49.1 72.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.139 -0.976 . . . . 0.0 111.997 175.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 125.594 1.557 . . . . 0.0 111.421 177.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.854 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 93.3 mt -122.42 124.5 26.78 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.795 1.638 . . . . 0.0 108.696 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -81.63 179.21 5.91 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.684 2.922 . . . . 0.0 112.827 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -115.94 62.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.3 1.44 . . . . 0.0 109.191 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.44 166.83 19.56 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.978 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -139.74 168.36 20.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.602 1.161 . . . . 0.0 110.706 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p -52.53 -52.77 53.09 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.304 1.042 . . . . 0.0 109.355 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -51.71 -57.87 7.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.458 1.503 . . . . 0.0 112.233 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.13 -52.27 59.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.946 0.899 . . . . 0.0 111.896 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.07 -48.24 82.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.463 1.105 . . . . 0.0 112.113 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.05 -46.85 75.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.501 1.52 . . . . 0.0 111.578 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 t -63.68 -50.75 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 126.434 1.894 . . . . 0.0 112.109 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.36 -43.08 61.39 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.6 75.71 68.23 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.658 1.183 . . . . 0.0 111.559 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.29 135.71 70.23 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.941 3.094 . . . . 0.0 113.936 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.1 mt -63.61 128.87 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.576 1.55 . . . . 0.0 108.903 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 123.952 0.901 . . . . 0.0 111.992 -179.457 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.668 0.747 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 123.51 16.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.004 2.121 . . . . 0.0 107.035 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.89 164.34 32.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 61.64 -139.98 47.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.9 1.715 . . . . 0.0 114.553 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.84 -42.43 47.33 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.791 1.237 . . . . 0.0 113.175 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -54.27 -32.33 55.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.06 1.344 . . . . 0.0 112.923 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -56.96 -60.09 4.09 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.313 0.961 . . . . 0.0 109.237 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -57.25 -42.39 81.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.173 0.989 . . . . 0.0 111.219 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -57.95 -46.99 84.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.949 1.3 . . . . 0.0 110.938 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.71 84.96 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.32 1.048 . . . . 0.0 110.821 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.49 -30.75 71.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.98 -1.075 . . . . 0.0 113.1 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.52 -38.62 90.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.575 1.15 . . . . 0.0 112.631 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.27 -15.52 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.101 1.76 . . . . 0.0 115.395 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.87 -37.17 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.812 1.645 . . . . 0.0 111.769 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.292 1.437 . . . . 0.0 114.722 -176.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -121.09 83.68 38.69 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.5 -106.52 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.618 2.878 . . . . 0.0 108.216 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -61.3 -18.09 56.8 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.25 -1.531 . . . . 0.0 112.214 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.43 -22.8 65.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.675 1.19 . . . . 0.0 112.11 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -53.17 -53.55 48.94 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.427 . . . . 0.0 109.707 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -54.75 -49.73 70.15 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.7 2.0 . . . . 0.0 111.083 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -56.68 -55.81 29.39 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.291 1.436 . . . . 0.0 111.378 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.59 -51.48 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.969 1.307 . . . . 0.0 110.201 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.99 -51.96 37.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.602 1.161 . . . . 0.0 111.357 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.87 -62.39 1.69 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.288 1.035 . . . . 0.0 110.852 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.71 -40.96 66.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.64 -55.07 39.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 109.082 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.44 -49.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 112.254 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.43 -45.96 80.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.579 1.081 . . . . 0.0 111.874 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.91 -44.11 96.96 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.877 0.871 . . . . 0.0 111.857 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.77 -48.59 81.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.478 0.711 . . . . 0.0 109.794 175.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -52.91 -53.86 43.22 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.543 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.9 -52.37 2.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.272 1.429 . . . . 0.0 114.034 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -80.22 -38.83 30.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.185 -0.947 . . . . 0.0 113.108 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -54.42 -40.24 68.1 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.537 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 130.234 3.414 . . . . 0.0 109.778 174.383 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.8 m170 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -51.69 -48.08 63.63 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.334 1.454 . . . . 0.0 111.056 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -46.13 -50.56 15.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 111.828 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -62.42 -51.74 66.32 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.657 1.183 . . . . 0.0 110.643 177.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.0 mmt -58.63 -37.59 76.24 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -62.42 -41.4 98.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.583 1.538 . . . . 0.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -61.91 -49.48 76.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.603 0.761 . . . . 0.0 109.976 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.44 -51.87 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.184 1.394 . . . . 0.0 110.382 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.87 -54.08 33.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.66 2.384 . . . . 0.0 111.811 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.94 -46.85 75.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 111.375 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -61.71 -48.59 80.04 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.455 0.702 . . . . 0.0 111.324 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -44.25 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.215 2.606 . . . . 0.0 114.867 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -65.64 -44.26 86.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.747 0.819 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -70.76 -52.84 18.12 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.618 1.167 . . . . 0.0 112.145 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.02 147.44 52.09 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.917 1.287 . . . . 0.0 111.172 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.9 5.11 4.97 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.925 1.69 . . . . 0.0 112.542 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.88 -73.51 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.021 0.929 . . . . 0.0 112.015 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.51 -72.58 1.21 Allowed Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.628 1.109 . . . . 0.0 112.353 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -43.2 -51.74 5.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.078 2.551 . . . . 0.0 114.058 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.47 14.75 12.85 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.736 1.615 . . . . 0.0 114.184 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.08 143.05 58.17 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.738 0.815 . . . . 0.0 110.408 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.27 -40.92 95.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.953 1.301 . . . . 0.0 111.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -71.11 114.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.34 1.456 . . . . 0.0 108.898 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.08 -49.05 69.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.552 0.741 . . . . 0.0 112.107 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -57.07 -29.37 63.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.742 1.617 . . . . 0.0 114.498 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.15 -49.73 75.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 109.785 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.73 63.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.15 0.98 . . . . 0.0 111.602 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -63.52 1.23 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.196 1.399 . . . . 0.0 112.733 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 p -49.8 -43.41 48.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.115 2.166 . . . . 0.0 114.574 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -59.7 -51.18 70.88 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.532 -0.73 . . . . 0.0 110.34 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -54.95 41.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.005 1.722 . . . . 0.0 113.399 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -52.83 -44.17 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.217 0.917 . . . . 0.0 112.704 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.61 -38.66 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.256 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.38 -46.96 66.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.83 0.741 . . . . 0.0 110.211 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -60.42 -66.24 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.176 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -50.72 -43.75 58.05 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.14 -52.28 63.79 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.408 1.483 . . . . 0.0 112.081 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -80.15 -33.72 38.26 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.14 119.27 5.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 113.063 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 p -132.11 23.59 4.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.063 2.545 . . . . 0.0 110.321 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -63.74 148.51 48.98 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 128.097 2.559 . . . . 0.0 111.339 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -51.55 -51.3 56.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.82 1.248 . . . . 0.0 111.164 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.82 131.28 15.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.631 1.572 . . . . 0.0 110.708 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.32 143.03 47.17 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.408 2.283 . . . . 0.0 105.109 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -62.84 -7.08 10.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.501 2.801 . . . . 0.0 116.616 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.05 -51.6 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.4 m -52.5 -48.99 65.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.236 1.814 . . . . 0.0 113.056 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.65 -62.06 5.69 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.625 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -58.37 -40.3 76.41 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.053 1.835 . . . . 0.0 112.71 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.58 -49.39 77.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.74 0.816 . . . . 0.0 111.555 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 124.584 1.154 . . . . 0.0 109.377 176.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.094 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.41 108.6 11.21 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.701 1.601 . . . . 0.0 107.373 172.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.66 169.43 20.87 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.111 2.54 . . . . 0.0 112.768 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -117.78 63.69 0.75 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.541 1.537 . . . . 0.0 108.516 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.63 110.78 4.41 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.485 1.114 . . . . 0.0 108.568 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 51.9 p -72.24 170.61 13.7 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.778 0.799 . . . . 0.0 111.567 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -55.42 -50.57 69.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.618 1.167 . . . . 0.0 109.18 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -53.99 -55.85 23.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.9 1.68 . . . . 0.0 111.222 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -48.8 -60.38 2.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.693 0.797 . . . . 0.0 111.361 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.8 m -56.0 -52.24 64.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.798 1.239 . . . . 0.0 113.022 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -57.78 -46.93 83.9 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.784 1.233 . . . . 0.0 112.461 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.74 -45.93 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 111.449 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.04 -51.85 54.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.672 1.589 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -130.85 75.66 78.34 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.701 1.2 . . . . 0.0 111.726 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.28 133.88 58.05 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.94 3.093 . . . . 0.0 113.092 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 28.1 mt -66.72 144.61 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.246 1.418 . . . . 0.0 109.627 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 123.959 0.904 . . . . 0.0 109.903 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.47 47.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.712 2.805 . . . . 0.0 107.432 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.84 160.33 43.33 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -174.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.55 -149.22 46.48 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 126.276 1.893 . . . . 0.0 114.369 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.06 -31.09 62.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.533 1.167 . . . . 0.0 113.568 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -53.11 -33.12 50.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.309 1.044 . . . . 0.0 111.795 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 52.3 mt -57.23 -63.18 1.31 Allowed 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 108.929 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.48 -42.82 74.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 111.874 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.68 -49.45 76.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.974 1.31 . . . . 0.0 110.547 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.83 88.82 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.843 1.257 . . . . 0.0 111.779 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.26 -44.55 96.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.732 1.213 . . . . 0.0 112.385 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.96 -41.76 75.2 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.721 1.608 . . . . 0.0 114.339 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -47.04 -21.82 0.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.55 -50.52 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -144.4 134.43 11.81 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 111.446 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -47.83 -50.69 11.2 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.845 3.03 . . . . 0.0 114.757 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.9 -40.21 96.87 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.378 -0.826 . . . . 0.0 112.101 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.02 -39.78 82.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.235 0.925 . . . . 0.0 110.442 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.238 0.926 . . . . 0.0 110.992 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -57.27 -46.09 83.42 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.405 1.082 . . . . 0.0 111.109 174.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.43 -48.99 78.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.709 1.204 . . . . 0.0 110.939 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.14 -52.51 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.84 1.256 . . . . 0.0 109.399 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -47.59 -54.22 12.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.312 1.845 . . . . 0.0 112.019 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -52.4 -57.5 9.64 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.689 1.196 . . . . 0.0 110.63 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -57.93 -39.41 77.96 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.299 1.039 . . . . 0.0 113.224 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.94 -58.05 9.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.976 1.71 . . . . 0.0 109.342 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.82 -48.86 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.215 1.406 . . . . 0.0 111.731 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.75 -51.4 69.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.665 0.666 . . . . 0.0 112.74 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.8 -46.72 84.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.008 1.323 . . . . 0.0 112.248 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.06 -54.86 42.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.795 1.238 . . . . 0.0 110.551 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -54.38 -51.52 64.54 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.474 1.11 . . . . 0.0 111.008 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.19 -54.86 4.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.733 1.613 . . . . 0.0 113.817 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -68.57 -43.15 77.19 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -54.94 -50.9 67.72 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.625 1.17 . . . . 0.0 111.142 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 129.662 3.185 . . . . 0.0 110.464 174.539 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 m170 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.32 -44.83 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.283 1.433 . . . . 0.0 110.881 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.77 -48.63 77.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.234 1.414 . . . . 0.0 111.24 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.8 m -58.13 -51.15 70.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.838 1.255 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.7 mmt -57.94 -42.0 83.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.865 1.266 . . . . 0.0 112.162 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -61.88 -41.92 98.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.145 1.378 . . . . 0.0 111.704 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -62.67 -46.86 86.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.504 -0.747 . . . . 0.0 110.268 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.57 -47.37 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.797 1.639 . . . . 0.0 110.432 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -52.19 -51.19 59.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.819 2.048 . . . . 0.0 111.815 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.97 -48.11 79.15 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.072 . . . . 0.0 111.234 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -58.42 -50.18 74.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.1 0.56 . . . . 0.0 111.369 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.4 mtp -48.77 -44.9 39.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.532 1.533 . . . . 0.0 115.056 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.9 p -69.3 -38.53 78.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.277 0.944 . . . . 0.0 112.263 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.85 -54.74 14.01 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.321 1.448 . . . . 0.0 111.444 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.94 147.29 53.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.368 1.867 . . . . 0.0 111.302 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -132.54 10.19 4.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.096 1.758 . . . . 0.0 112.042 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.3 -67.46 0.81 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.097 0.959 . . . . 0.0 112.131 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.78 -71.67 1.1 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.817 1.199 . . . . 0.0 113.372 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.99 -54.75 33.43 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.325 1.85 . . . . 0.0 110.921 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.07 53.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.47 1.508 . . . . 0.0 113.996 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.19 122.96 16.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.374 1.069 . . . . 0.0 110.932 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -66.59 -27.5 67.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.76 1.224 . . . . 0.0 113.184 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.52 118.22 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.403 1.481 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.95 53.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.76 1.624 . . . . 0.0 111.89 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -53.25 -58.52 6.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.88 1.672 . . . . 0.0 112.569 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.02 -55.87 13.0 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.253 1.821 . . . . 0.0 111.849 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.45 -43.44 64.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.931 0.892 . . . . 0.0 112.479 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.98 -57.3 4.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.767 1.627 . . . . 0.0 113.954 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -51.99 -46.48 64.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.258 2.223 . . . . 0.0 113.754 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -56.48 -43.71 79.92 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.389 -0.82 . . . . 0.0 110.773 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -56.21 23.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.229 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 pt -53.79 -42.79 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.782 0.719 . . . . 0.0 112.569 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.52 -39.23 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 118.885 -0.578 . . . . 0.0 111.215 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.0 m -53.19 -47.37 68.92 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.046 0.839 . . . . 0.0 110.293 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.87 -63.52 1.18 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.833 0.853 . . . . 0.0 110.165 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -53.93 -41.1 67.35 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.58 -49.1 78.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.946 1.298 . . . . 0.0 111.566 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -76.38 -44.95 34.05 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.272 1.429 . . . . 0.0 114.851 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.8 t -57.29 132.78 54.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.281 1.832 . . . . 0.0 113.914 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -129.78 3.51 4.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.433 2.293 . . . . 0.0 112.236 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -58.46 118.19 5.32 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.969 1.707 . . . . 0.0 109.822 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 3.25 1.87 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -146.25 20.22 1.39 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.492 1.517 . . . . 0.0 114.722 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.29 137.29 94.4 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-N 119.454 1.024 . . . . 0.0 108.607 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -58.23 -14.91 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 124.008 3.139 . . . . 0.0 116.748 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.62 -52.13 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.598 1.09 . . . . 0.0 111.499 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.89 -48.38 70.16 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.955 1.702 . . . . 0.0 112.685 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.06 -63.47 2.94 Favored Pre-proline 0 CA--C 1.546 0.803 0 CA-C-O 116.904 -1.522 . . . . 0.0 112.465 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -57.42 -37.49 97.26 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.308 2.006 . . . . 0.0 113.112 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.53 -45.02 95.96 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.493 -0.754 . . . . 0.0 111.657 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.145 176.324 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -126.02 115.64 24.06 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.085 1.754 . . . . 0.0 107.448 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.39 171.09 16.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.262 2.642 . . . . 0.0 113.627 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -110.66 63.77 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.258 1.423 . . . . 0.0 108.903 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.38 170.78 11.2 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.656 173.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 52.7 p -140.84 169.32 17.84 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.283 1.033 . . . . 0.0 110.58 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p -54.64 -50.32 68.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.209 1.004 . . . . 0.0 109.455 174.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.68 -57.84 8.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.759 1.624 . . . . 0.0 111.835 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.04 -52.14 52.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.797 0.839 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.06 -49.73 76.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.424 1.09 . . . . 0.0 112.157 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -56.4 -46.72 80.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.949 1.3 . . . . 0.0 111.813 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.1 t -61.38 -50.54 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.164 1.786 . . . . 0.0 112.213 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -75.88 -34.73 60.0 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.82 74.78 37.61 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.492 1.117 . . . . 0.0 112.142 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.5 138.16 65.94 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.19 3.26 . . . . 0.0 114.515 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.27 127.96 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.513 1.925 . . . . 0.0 108.93 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 . . . . . 0 N--CA 1.474 0.733 0 C-N-CA 124.941 1.296 . . . . 0.0 114.211 -176.579 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.12 138.12 26.3 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 129.431 3.093 . . . . 0.0 110.676 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.04 157.25 47.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.144 1.378 . . . . 0.0 114.314 -175.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 53.53 -144.41 25.68 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 127.188 2.328 . . . . 0.0 116.472 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.87 -30.75 62.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.82 -31.05 58.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.947 0.794 . . . . 0.0 111.769 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.85 -64.8 0.76 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.51 -43.42 75.66 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.317 1.447 . . . . 0.0 112.009 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -56.57 -51.22 69.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.821 1.248 . . . . 0.0 110.543 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.15 87.14 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 111.65 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.22 -46.42 90.51 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.273 1.029 . . . . 0.0 112.731 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.54 -20.65 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.35 -22.76 65.23 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.937 1.244 . . . . 0.0 114.067 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 14.2 t -62.19 118.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.386 1.074 . . . . 0.0 109.129 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 123.941 0.896 . . . . 0.0 112.922 178.729 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.536 0.208 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.37 138.52 14.81 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.578 1.551 . . . . 0.0 111.327 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -60.42 -39.31 67.44 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.924 2.416 . . . . 0.0 113.492 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.97 -34.15 74.86 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.92 -1.112 . . . . 0.0 111.26 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.96 -41.73 96.9 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.85 -1.156 . . . . 0.0 109.647 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.1 -44.0 91.91 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.255 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -53.86 -49.37 68.65 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.739 1.154 . . . . 0.0 110.957 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.73 -42.44 97.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.88 1.272 . . . . 0.0 111.543 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.48 -46.7 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 110.143 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -50.99 -56.46 12.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -44.94 94.84 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.941 0.791 . . . . 0.0 111.677 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.487 HE22 HD22 ' B' ' 115' ' ' LEU . 31.8 mm-40 -55.27 -45.51 76.13 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.175 0.898 . . . . 0.0 112.074 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.66 -55.39 34.68 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.266 1.826 . . . . 0.0 109.902 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.5 -51.2 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.415 1.486 . . . . 0.0 112.363 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 28.6 mt -56.29 -47.15 79.23 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.006 0.821 . . . . 0.0 111.688 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.96 -48.83 80.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.08 0.952 . . . . 0.0 112.096 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.2 mt -56.49 -53.33 58.75 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.177 0.991 . . . . 0.0 110.19 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -54.46 -49.96 68.86 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.739 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.25 -47.12 9.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.129 1.372 . . . . 0.0 114.175 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -71.57 -46.4 59.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.562 -0.711 . . . . 0.0 111.465 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -53.18 -41.15 64.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.337 1.855 . . . . 0.0 112.203 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 129.187 2.995 . . . . 0.0 111.219 177.415 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 14.0 t -53.2 -50.49 64.58 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.268 1.027 . . . . 0.0 109.686 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -54.7 -46.38 74.15 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.626 1.57 . . . . 0.0 111.137 174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -54.74 -52.43 62.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.23 1.012 . . . . 0.0 110.459 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.406 ' HG3' ' HB3' ' A' ' 15' ' ' LEU . 35.0 mmt -61.67 -36.91 82.21 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 112.445 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 49.4 mttp -60.56 -40.76 92.8 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.36 1.436 . . . . 0.0 111.424 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -58.61 -49.25 78.17 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.804 0.729 . . . . 0.0 109.805 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.49 -49.0 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.207 1.803 . . . . 0.0 110.403 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.43 -51.59 53.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.046 2.139 . . . . 0.0 112.038 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.26 -44.96 84.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.616 1.166 . . . . 0.0 111.8 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -64.63 -52.28 58.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.638 -0.664 . . . . 0.0 111.397 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.9 mtp -41.97 -51.06 4.52 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.598 1.959 . . . . 0.0 114.747 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -61.61 -46.09 91.32 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.068 0.947 . . . . 0.0 112.744 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -73.2 -32.83 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 113.508 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.4 t -59.02 141.33 54.24 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.806 1.643 . . . . 0.0 112.516 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -131.82 -9.51 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.899 2.079 . . . . 0.0 112.841 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.38 81.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.982 1.313 . . . . 0.0 112.455 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.03 -109.07 2.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.022 1.296 . . . . 0.0 112.535 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -58.86 -38.6 79.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.214 1.406 . . . . 0.0 111.916 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.52 -17.4 61.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.752 1.621 . . . . 0.0 114.872 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.63 118.37 8.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.584 1.084 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -71.55 -22.15 61.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.727 1.211 . . . . 0.0 113.364 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.99 117.66 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.085 1.354 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.31 8.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.195 1.798 . . . . 0.0 112.168 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -54.51 -51.47 65.02 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.975 1.71 . . . . 0.0 113.162 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.32 -57.34 12.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.334 1.454 . . . . 0.0 111.474 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.66 70.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.45 1.1 . . . . 0.0 112.362 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 m -66.19 -57.47 7.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.232 1.413 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -52.21 -45.83 65.4 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.781 2.032 . . . . 0.0 113.545 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -58.27 -43.58 88.0 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.636 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -60.62 -56.49 20.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.34 1.456 . . . . 0.0 112.963 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -52.58 -45.47 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.048 0.84 . . . . 0.0 112.284 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.97 -38.17 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.301 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.3 m -53.77 -52.87 58.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.057 0.844 . . . . 0.0 110.251 173.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.83 -60.47 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.946 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -52.82 -43.41 65.93 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -44.8 93.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.468 1.107 . . . . 0.0 111.512 176.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.11 -43.93 85.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.568 1.147 . . . . 0.0 112.954 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.7 t -55.67 118.84 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.195 2.198 . . . . 0.0 114.72 -173.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.5 p -127.38 11.42 6.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.986 2.514 . . . . 0.0 111.025 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -59.53 143.85 49.01 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.473 2.309 . . . . 0.0 111.839 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -51.81 -49.79 62.08 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 111.688 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -147.86 127.14 13.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.611 1.564 . . . . 0.0 111.441 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.426 ' H ' ' HB2' ' A' ' 86' ' ' LEU . 1.7 t -130.19 143.56 49.67 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 128.362 2.665 . . . . 0.0 106.168 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -62.01 -6.83 8.52 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.059 3.172 . . . . 0.0 117.484 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.65 -43.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.921 1.237 . . . . 0.0 111.634 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.8 m -58.54 -56.18 25.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.561 1.544 . . . . 0.0 111.406 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' HB2' ' H ' ' A' ' 82' ' ' CYS . 3.4 tm? -37.92 -61.39 0.8 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.371 1.869 . . . . 0.0 115.05 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.0 -38.39 94.77 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.664 2.243 . . . . 0.0 113.798 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.3 mt -73.34 -52.72 12.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.77 1.228 . . . . 0.0 111.605 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 130.711 3.604 . . . . 0.0 111.909 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.12 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 12' ' ' GLN . 77.7 mt -137.04 138.01 24.51 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.983 2.113 . . . . 0.0 109.667 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -82.01 178.84 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.143 2.562 . . . . 0.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -119.19 60.65 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.715 1.606 . . . . 0.0 108.863 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.17 171.22 12.42 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.054 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.7 p -141.48 169.83 16.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.927 1.291 . . . . 0.0 110.246 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -54.4 -51.51 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.975 0.91 . . . . 0.0 109.586 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -51.91 -58.78 5.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.248 1.419 . . . . 0.0 111.805 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.9 -51.33 61.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.156 0.982 . . . . 0.0 111.896 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 74.6 m -61.8 -48.92 78.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.202 1.001 . . . . 0.0 112.251 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.89 -45.55 82.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.863 1.265 . . . . 0.0 111.379 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.976 1.71 . . . . 0.0 111.811 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -73.19 -38.39 66.16 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.0 76.77 57.86 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.993 1.317 . . . . 0.0 111.715 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.25 142.25 68.46 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 124.152 3.235 . . . . 0.0 114.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 20.5 mt -84.31 147.04 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 125.798 1.639 . . . . 0.0 109.655 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.398 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 122.192 0.996 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 120.69 16.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.593 2.357 . . . . 0.0 106.624 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -138.08 161.86 35.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.626 1.171 . . . . 0.0 114.046 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 62.72 -143.43 48.66 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.589 2.042 . . . . 0.0 115.34 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.51 -35.11 52.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.356 1.062 . . . . 0.0 113.292 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -54.23 -34.29 60.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 0.0 112.129 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.44 -59.98 4.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.293 1.037 . . . . 0.0 109.12 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.47 -44.25 80.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.773 1.229 . . . . 0.0 111.498 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -57.01 -49.2 76.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.65 1.18 . . . . 0.0 110.852 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.87 72.34 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.663 1.185 . . . . 0.0 110.924 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.613 1.097 . . . . 0.0 112.586 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.92 -27.87 69.12 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.397 1.479 . . . . 0.0 114.735 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.56 -15.14 10.07 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.41 -51.57 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.809 1.244 . . . . 0.0 110.93 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.4 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.967 2.907 . . . . 0.0 115.441 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.425 0.155 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.16 134.48 13.64 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.389 1.475 . . . . 0.0 111.713 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.4 -49.49 14.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.929 3.086 . . . . 0.0 114.657 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.45 -40.8 96.41 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.091 -1.006 . . . . 0.0 112.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.97 -37.04 75.88 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.926 0.784 . . . . 0.0 110.568 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -64.05 -45.23 89.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.75 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -54.27 -49.36 69.74 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.631 1.105 . . . . 0.0 110.944 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.18 -46.92 84.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.19 1.396 . . . . 0.0 111.102 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.76 -48.66 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.935 1.294 . . . . 0.0 110.752 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -51.04 -55.12 19.07 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.903 1.229 . . . . 0.0 109.927 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -56.44 14.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.893 1.277 . . . . 0.0 111.468 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -55.1 -43.05 73.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.377 1.071 . . . . 0.0 112.588 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -57.09 -57.0 14.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.821 1.649 . . . . 0.0 109.542 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.97 -48.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.331 1.452 . . . . 0.0 112.368 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.89 -47.09 86.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.5 1.045 . . . . 0.0 111.618 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.41 -43.59 92.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.377 1.071 . . . . 0.0 111.935 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.55 -49.84 75.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.793 0.837 . . . . 0.0 110.185 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -54.54 -49.62 69.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.169 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.92 -52.05 5.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.775 1.63 . . . . 0.0 114.243 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -71.99 -42.87 65.96 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.041 -1.037 . . . . 0.0 111.915 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.18 -38.99 71.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.471 1.108 . . . . 0.0 111.979 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 129.474 3.11 . . . . 0.0 109.707 174.688 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.6 m80 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.7 t -52.57 -43.06 65.02 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.291 1.836 . . . . 0.0 111.602 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -44.77 -51.24 9.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.372 1.869 . . . . 0.0 112.933 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -59.42 -51.82 68.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.551 0.74 . . . . 0.0 110.198 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -58.79 -41.36 86.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.825 -0.607 . . . . 0.0 112.626 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -62.62 -45.91 90.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.387 1.475 . . . . 0.0 111.266 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.73 -48.62 80.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.243 0.617 . . . . 0.0 110.463 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.21 -50.55 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.626 1.571 . . . . 0.0 110.677 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.46 -53.24 39.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.383 2.273 . . . . 0.0 111.643 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -55.11 -45.22 75.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.061 0.944 . . . . 0.0 111.674 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -63.11 -50.83 68.94 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.657 -0.652 . . . . 0.0 110.828 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -48.04 11.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.343 2.657 . . . . 0.0 114.947 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -62.61 -45.88 90.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.469 -0.769 . . . . 0.0 112.437 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -69.62 -49.64 52.0 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.472 1.509 . . . . 0.0 112.344 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.3 145.91 54.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.37 1.468 . . . . 0.0 111.107 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -131.75 5.47 4.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.505 1.922 . . . . 0.0 112.383 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.09 -58.0 3.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.987 1.315 . . . . 0.0 112.775 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 -89.09 0.21 Allowed Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.775 1.178 . . . . 0.0 113.436 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -58.18 -47.99 81.69 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.893 1.277 . . . . 0.0 111.283 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.29 -13.8 59.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.387 1.475 . . . . 0.0 114.462 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.1 133.09 49.99 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.174 0.897 . . . . 0.0 111.367 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.03 -32.7 74.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.987 1.315 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.97 114.99 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.4 1.48 . . . . 0.0 110.672 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.15 60.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.563 1.545 . . . . 0.0 112.091 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -60.54 -38.69 85.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.257 1.423 . . . . 0.0 113.693 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.76 -57.23 13.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.423 1.465 . . . . 0.0 109.987 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.34 -44.01 61.91 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.829 1.251 . . . . 0.0 112.436 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -69.16 -58.79 3.59 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.543 1.537 . . . . 0.0 113.566 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 p -51.4 -41.81 60.99 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 114.425 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -61.42 -37.81 84.84 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.939 -1.101 . . . . 0.0 111.988 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -55.2 13.78 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.347 1.859 . . . . 0.0 111.889 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.16 -44.07 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.729 0.695 . . . . 0.0 112.794 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -69.46 -40.18 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.438 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -53.64 -50.66 65.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.961 0.801 . . . . 0.0 109.89 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.05 -63.97 0.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.713 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -52.32 -44.92 65.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.103 1.319 . . . . 0.0 114.153 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -58.96 -46.24 88.55 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.597 1.159 . . . . 0.0 112.071 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -73.91 -40.14 63.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.871 1.268 . . . . 0.0 113.497 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.76 122.71 13.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 113.155 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -134.23 24.72 3.85 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.059 2.544 . . . . 0.0 110.195 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -65.09 149.53 49.72 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 128.459 2.704 . . . . 0.0 112.707 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -51.55 -50.67 59.6 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.938 1.695 . . . . 0.0 111.176 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.91 127.1 9.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.952 1.701 . . . . 0.0 110.782 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -130.73 144.04 51.83 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.866 2.866 . . . . 0.0 105.795 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -63.29 5.71 0.29 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.533 3.489 . . . . 0.0 117.517 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.84 -51.11 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 119.885 1.221 . . . . 0.0 109.693 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.3 m -52.4 -50.09 63.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.384 2.273 . . . . 0.0 112.136 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.33 -64.75 1.22 Allowed Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 116.886 -1.53 . . . . 0.0 112.491 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -58.64 -40.85 69.75 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.236 1.957 . . . . 0.0 113.305 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -57.01 -46.12 82.55 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.186 0.903 . . . . 0.0 111.699 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.5 tttp . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 125.882 1.673 . . . . 0.0 111.173 175.911 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.6 mt -138.39 120.58 10.64 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 127.33 2.252 . . . . 0.0 108.154 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -79.58 175.03 11.08 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.745 2.297 . . . . 0.0 113.09 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -122.26 68.2 0.94 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.151 1.78 . . . . 0.0 107.952 172.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.0 175.83 4.84 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.348 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -140.57 168.38 19.94 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 109.614 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.1 p -55.34 -47.71 75.31 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.09 -59.22 4.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.234 1.814 . . . . 0.0 111.585 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.31 -52.46 52.93 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.756 0.822 . . . . 0.0 111.718 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.66 -50.42 72.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.822 1.249 . . . . 0.0 112.427 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -53.26 -48.43 68.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.387 1.475 . . . . 0.0 111.703 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.39 -50.97 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.341 1.856 . . . . 0.0 112.602 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -76.25 -41.05 50.32 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.98 81.59 61.88 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 125.954 1.702 . . . . 0.0 111.293 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.01 167.62 5.42 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.738 3.625 . . . . 0.0 115.414 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.65 128.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.448 1.899 . . . . 0.0 108.528 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.935 0.894 . . . . 0.0 113.102 -178.381 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 142.55 56.85 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.664 1.985 . . . . 0.0 110.619 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -128.85 149.72 50.64 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.13 -132.83 4.27 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 127.49 2.471 . . . . 0.0 117.556 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.67 -37.05 58.1 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 114.376 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.73 -31.98 59.06 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.99 -65.35 0.61 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 108.997 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.98 -44.53 70.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.592 1.157 . . . . 0.0 111.48 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -55.3 -51.07 67.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.501 1.121 . . . . 0.0 111.199 175.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.71 96.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.207 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.29 -45.09 93.03 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.095 0.958 . . . . 0.0 112.42 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.17 -35.67 71.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.689 1.596 . . . . 0.0 115.229 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.4 -18.78 0.69 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -61.15 -37.93 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.211 1.404 . . . . 0.0 112.027 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.58 140.78 15.54 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.985 1.314 . . . . 0.0 111.887 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -57.29 -33.62 96.43 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.365 2.71 . . . . 0.0 113.92 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -64.96 -47.89 76.01 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.389 0.995 . . . . 0.0 110.247 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.24 -40.23 93.27 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.808 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -61.67 -48.7 79.64 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.683 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -61.19 -37.9 84.59 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.221 1.373 . . . . 0.0 111.931 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.8 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.962 . . . . 0.0 110.329 173.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -58.02 -49.13 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.605 1.562 . . . . 0.0 110.363 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -51.39 -54.11 29.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.671 1.188 . . . . 0.0 110.799 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -54.45 -57.55 10.9 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.53 1.532 . . . . 0.0 110.55 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -50.5 -47.23 57.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.945 1.698 . . . . 0.0 112.886 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.52 -55.77 28.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.822 1.649 . . . . 0.0 109.47 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.06 -48.58 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.33 1.452 . . . . 0.0 112.084 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -56.04 -48.5 75.89 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.35 0.977 . . . . 0.0 111.734 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.9 -47.32 83.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.812 1.245 . . . . 0.0 111.796 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.45 -50.44 73.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.581 1.153 . . . . 0.0 110.509 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -54.58 -53.0 60.33 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.744 0.818 . . . . 0.0 110.548 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.57 -49.53 13.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 113.56 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -63.81 -48.0 78.61 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.055 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -56.59 -45.88 81.15 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 119.407 1.003 . . . . 0.0 111.532 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 126.711 2.005 . . . . 0.0 110.327 176.511 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.0 m80 . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.43 -50.23 63.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.277 1.431 . . . . 0.0 111.365 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -52.58 -44.4 65.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.843 1.257 . . . . 0.0 111.89 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -60.76 -49.5 77.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.28 1.032 . . . . 0.0 109.959 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -59.48 -38.58 81.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.342 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -60.68 -42.96 98.17 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.266 1.394 . . . . 0.0 111.415 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -60.18 -48.81 80.18 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.563 0.745 . . . . 0.0 109.925 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.31 -55.72 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.359 1.463 . . . . 0.0 110.041 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -49.42 -55.82 11.79 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.493 2.717 . . . . 0.0 112.261 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -54.92 -45.47 74.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.959 1.304 . . . . 0.0 111.853 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.22 -48.48 70.42 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.712 -0.617 . . . . 0.0 110.58 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.68 -47.9 7.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.077 2.551 . . . . 0.0 114.871 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -63.17 -47.56 82.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.158 0.983 . . . . 0.0 112.407 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.89 -45.39 67.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.577 1.551 . . . . 0.0 112.374 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.72 141.75 57.66 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.302 1.841 . . . . 0.0 111.212 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -126.21 -3.92 6.83 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.329 1.452 . . . . 0.0 112.863 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.6 -55.86 6.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 112.164 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -88.12 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.016 1.293 . . . . 0.0 112.66 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -56.34 -48.53 76.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.832 1.653 . . . . 0.0 111.735 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.52 -13.01 58.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.16 134.01 51.86 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.924 1.238 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.3 -36.06 82.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.237 1.415 . . . . 0.0 113.266 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.04 124.2 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.492 1.517 . . . . 0.0 110.506 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.55 -64.3 0.87 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.496 1.518 . . . . 0.0 112.926 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.975 1.31 . . . . 0.0 114.411 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.78 -47.56 70.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.288 1.435 . . . . 0.0 111.759 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.24 -54.08 42.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.804 1.242 . . . . 0.0 111.494 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m -58.64 -54.09 51.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.279 1.832 . . . . 0.0 114.157 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p -52.69 -34.2 50.97 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.512 1.925 . . . . 0.0 114.026 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -67.62 -52.82 33.79 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.857 0.753 . . . . 0.0 109.794 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -56.09 10.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.695 1.998 . . . . 0.0 112.706 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.51 -45.07 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.7 mm -73.99 -38.54 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.66 0.784 . . . . 0.0 111.615 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -53.45 -48.52 68.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.877 1.271 . . . . 0.0 109.241 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -58.74 -64.99 0.73 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.602 1.161 . . . . 0.0 109.891 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -47.82 -47.05 31.34 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -59.51 -47.88 83.8 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.143 0.977 . . . . 0.0 112.224 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -71.36 -34.73 70.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.325 . . . . 0.0 113.685 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.31 121.56 14.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.14 1.776 . . . . 0.0 113.538 -175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -133.61 29.92 3.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.777 2.831 . . . . 0.0 110.208 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.82 155.41 6.04 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 128.338 2.655 . . . . 0.0 114.072 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -59.6 -50.84 72.33 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 169.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -154.75 128.13 8.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.962 2.105 . . . . 0.0 111.197 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -129.17 142.05 43.87 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.152 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.92 -13.49 27.42 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.411 2.741 . . . . 0.0 116.938 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.22 -51.62 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.473 1.033 . . . . 0.0 110.505 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 82' ' ' CYS . 5.1 m -52.01 -54.05 34.55 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.178 2.191 . . . . 0.0 113.364 -178.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.65 -61.2 6.64 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 117.271 -1.347 . . . . 0.0 111.851 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.23 -43.82 52.41 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.152 1.901 . . . . 0.0 113.442 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.53 -51.59 69.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.163 0.892 . . . . 0.0 111.601 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 125.625 1.57 . . . . 0.0 110.994 178.304 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.538 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.05 123.52 83.44 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.52 0.728 . . . . 0.0 112.231 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.01 -167.54 0.43 Allowed 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.201 3.267 . . . . 0.0 112.145 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.05 62.46 1.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.824 1.649 . . . . 0.0 108.69 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.91 167.93 19.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.522 175.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 73.5 p -138.95 170.47 15.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.49 1.516 . . . . 0.0 109.516 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.2 p -57.62 -47.07 83.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.878 -0.514 . . . . 0.0 109.894 175.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.01 -56.73 12.5 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.088 1.355 . . . . 0.0 111.894 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.21 -49.31 69.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.811 0.844 . . . . 0.0 111.705 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 78.1 m -61.66 -49.47 76.39 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.368 1.067 . . . . 0.0 112.094 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.86 -49.92 69.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.208 1.403 . . . . 0.0 111.256 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.68 -50.4 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.156 1.783 . . . . 0.0 112.174 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -73.82 -39.88 63.76 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.01 79.14 33.38 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.446 1.498 . . . . 0.0 111.49 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.75 141.48 79.0 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.629 2.886 . . . . 0.0 113.965 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.26 141.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.991 1.316 . . . . 0.0 107.75 173.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 N--CA 1.476 0.873 0 CA-C-N 119.067 0.849 . . . . 0.0 112.679 -179.549 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 120.895 0.378 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 136.32 54.34 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.095 2.558 . . . . 0.0 109.762 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -126.81 161.99 26.93 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.82 -136.81 3.73 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 128.007 2.718 . . . . 0.0 117.601 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.45 -36.94 55.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.902 1.281 . . . . 0.0 113.848 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.98 -30.77 62.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.732 0.813 . . . . 0.0 112.249 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.98 -60.58 3.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.56 -44.92 77.28 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.983 1.313 . . . . 0.0 111.552 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -57.12 -49.47 75.79 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.111 0.964 . . . . 0.0 111.092 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.33 85.8 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.498 1.119 . . . . 0.0 111.243 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 mt -59.97 -48.03 83.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.339 1.055 . . . . 0.0 112.435 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.03 -20.04 64.95 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -60.9 -24.8 66.27 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 9.6 t -62.94 122.27 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.422 -0.799 . . . . 0.0 112.747 179.419 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.651 0.262 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.2 134.64 10.85 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.891 1.676 . . . . 0.0 111.377 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -58.18 -36.12 98.12 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.39 2.727 . . . . 0.0 113.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.39 -56.84 13.04 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.692 1.133 . . . . 0.0 110.109 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -53.61 -41.78 67.0 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.386 174.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.33 -55.19 36.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.644 1.111 . . . . 0.0 111.347 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.06 -34.52 75.03 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 121.013 1.733 . . . . 0.0 113.538 177.591 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.51 -43.88 98.07 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.054 0.942 . . . . 0.0 110.338 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.0 -49.36 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.202 1.401 . . . . 0.0 109.535 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' ' 84' ' ' VAL . 56.6 mt-30 -50.24 -49.91 51.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.457 1.026 . . . . 0.0 110.639 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -56.29 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.992 1.317 . . . . 0.0 110.993 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -53.14 -43.35 66.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.333 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -57.67 10.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.415 1.486 . . . . 0.0 110.746 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.37 -47.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.033 0.933 . . . . 0.0 111.325 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.47 -47.53 79.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.305 0.642 . . . . 0.0 112.048 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 tp -62.07 -49.07 77.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.105 1.362 . . . . 0.0 112.489 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.61 -51.5 65.14 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.47 0.708 . . . . 0.0 110.187 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -58.1 -46.28 85.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.122 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.22 13.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.715 1.606 . . . . 0.0 113.684 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -71.17 -51.14 26.5 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.479 -0.763 . . . . 0.0 110.477 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -51.21 -45.3 61.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.589 1.155 . . . . 0.0 113.013 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 129.016 2.926 . . . . 0.0 112.178 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.46 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 10.3 t -57.09 -47.01 82.08 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.062 1.345 . . . . 0.0 109.544 172.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -44.79 79.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.078 1.751 . . . . 0.0 111.517 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.6 m -58.58 -50.36 74.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.848 0.859 . . . . 0.0 110.064 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.3 mmt -57.76 -37.49 73.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.34 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 59.9 mttp -60.98 -43.77 98.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.804 1.638 . . . . 0.0 111.873 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -60.23 -46.58 89.3 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.512 0.725 . . . . 0.0 110.222 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.64 -52.75 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.773 1.629 . . . . 0.0 110.284 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.33 -51.43 34.42 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 128.622 2.769 . . . . 0.0 111.838 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -53.57 -54.84 31.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.38 -49.36 74.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.879 0.471 . . . . 0.0 110.336 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -48.63 15.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.463 1.905 . . . . 0.0 113.63 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -41.21 94.46 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -68.48 -39.86 81.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.909 0.884 . . . . 0.0 112.276 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.9 t -60.18 139.62 57.43 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.237 1.815 . . . . 0.0 111.466 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -131.41 11.15 4.9 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.235 1.814 . . . . 0.0 111.985 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.03 161.64 15.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.388 1.075 . . . . 0.0 111.242 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.11 -117.18 2.8 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.77 -18.53 62.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.843 1.257 . . . . 0.0 113.053 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.09 73.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.794 2.038 . . . . 0.0 116.109 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.2 t -61.5 115.03 3.58 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.877 0.762 . . . . 0.0 110.404 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.45 -22.94 63.61 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.76 1.224 . . . . 0.0 113.7 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.97 114.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.903 1.281 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.5 -59.19 3.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.891 1.677 . . . . 0.0 112.103 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -54.34 -45.34 72.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.102 1.361 . . . . 0.0 113.174 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.11 -56.81 17.17 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.704 1.138 . . . . 0.0 110.705 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -52.12 55.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.926 1.29 . . . . 0.0 112.73 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 p -66.0 -52.35 50.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.684 0.793 . . . . 0.0 112.991 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -53.22 -43.88 67.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.802 1.241 . . . . 0.0 113.472 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -58.19 -47.07 84.58 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.995 -1.065 . . . . 0.0 110.567 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -55.01 37.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.442 1.497 . . . . 0.0 113.085 177.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.5 pt -53.5 -45.94 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.592 1.087 . . . . 0.0 112.72 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.1 mm -66.73 -40.97 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.263 0.483 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.81 -50.08 64.36 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.734 0.814 . . . . 0.0 110.369 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -59.65 -61.53 2.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 110.609 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -52.76 -42.32 64.86 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.76 -44.84 95.13 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.728 1.211 . . . . 0.0 112.171 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -74.11 -48.52 29.04 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.233 1.413 . . . . 0.0 113.57 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.23 122.19 15.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.612 1.565 . . . . 0.0 113.099 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.1 p -134.74 21.22 3.57 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.769 2.028 . . . . 0.0 111.119 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -60.19 150.99 28.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.706 2.002 . . . . 0.0 112.858 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -56.35 -32.35 64.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.395 1.078 . . . . 0.0 112.145 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.91 134.47 15.4 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.538 1.535 . . . . 0.0 112.136 172.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.45 142.67 16.55 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 128.118 2.567 . . . . 0.0 104.461 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.86 0.48 1.54 Allowed 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.822 3.015 . . . . 0.0 117.164 -174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -138.4 -49.63 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 119.927 1.239 . . . . 0.0 110.403 177.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.6 m -52.45 -52.93 51.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.483 1.913 . . . . 0.0 112.055 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.9 -62.34 3.53 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 116.735 -1.603 . . . . 0.0 113.506 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -57.04 -33.78 96.37 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.349 2.032 . . . . 0.0 114.075 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.05 -46.68 64.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.503 1.121 . . . . 0.0 111.578 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.0 tttt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 126.293 1.837 . . . . 0.0 110.893 176.383 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.28 130.61 22.66 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 108.112 171.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -82.15 -173.02 1.6 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.512 2.808 . . . . 0.0 111.861 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -122.85 60.12 1.04 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.647 1.579 . . . . 0.0 108.284 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.01 156.63 35.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.044 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 72.9 p -128.2 170.45 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.304 1.042 . . . . 0.0 110.76 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -55.67 -49.89 71.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 109.254 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -52.34 -56.5 14.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.961 1.304 . . . . 0.0 112.29 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -54.46 -49.55 69.79 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.374 0.67 . . . . 0.0 111.718 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.4 m -62.84 -46.9 85.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.337 1.055 . . . . 0.0 112.2 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.13 -49.35 72.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.161 1.384 . . . . 0.0 111.295 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.85 -51.06 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.296 1.839 . . . . 0.0 112.298 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -76.4 -33.8 58.85 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -142.19 77.71 17.69 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 125.225 1.41 . . . . 0.0 112.183 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.43 131.59 45.56 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.924 3.083 . . . . 0.0 113.972 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 17.4 mt -63.13 129.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.326 1.05 . . . . 0.0 108.725 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.549 0.69 . . . . 0.0 111.738 -179.733 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.366 0.603 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.87 130.67 47.92 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.711 2.805 . . . . 0.0 109.28 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -136.95 163.41 30.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.019 1.327 . . . . 0.0 113.891 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.95 -141.35 36.95 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 127.146 2.308 . . . . 0.0 116.608 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.12 -40.49 32.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.386 1.475 . . . . 0.0 114.35 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -55.11 -30.12 59.07 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.925 0.89 . . . . 0.0 112.748 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -57.66 -62.1 2.04 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.02 0.928 . . . . 0.0 109.195 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.99 -43.68 73.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.314 1.046 . . . . 0.0 111.479 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -57.77 -49.33 76.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.997 0.919 . . . . 0.0 111.032 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.3 88.97 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.06 -43.84 77.71 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.505 1.122 . . . . 0.0 112.62 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.44 -31.7 69.53 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.54 -18.18 17.83 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.51 -60.71 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 112.062 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.27 0.4 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.422 2.689 . . . . 0.0 115.034 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.388 0.137 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -147.8 140.4 14.67 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.465 1.506 . . . . 0.0 111.661 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.31 -38.27 91.46 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.027 2.484 . . . . 0.0 114.024 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -40.75 95.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.105 1.32 . . . . 0.0 111.706 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.61 -39.77 81.39 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.47 -0.769 . . . . 0.0 109.653 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -58.85 -50.19 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -51.56 -52.25 48.78 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.735 1.214 . . . . 0.0 111.198 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -56.34 -48.44 76.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.417 1.487 . . . . 0.0 111.928 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.18 -52.63 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.804 1.241 . . . . 0.0 109.85 176.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.48 -57.78 5.62 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.084 1.754 . . . . 0.0 112.372 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -57.62 -50.12 74.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.522 0.601 . . . . 0.0 111.983 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.18 -39.48 79.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.331 0.969 . . . . 0.0 113.111 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.42 -51.61 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 109.079 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.52 -51.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.437 1.095 . . . . 0.0 111.285 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.54 -46.39 80.68 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.92 0.888 . . . . 0.0 113.184 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.17 -45.86 91.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.977 0.911 . . . . 0.0 111.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.65 -47.94 80.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.436 0.694 . . . . 0.0 110.147 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -55.35 -52.0 64.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.144 0.978 . . . . 0.0 110.834 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.0 -43.88 4.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.31 1.844 . . . . 0.0 114.737 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -75.56 -48.15 23.65 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.59 -0.694 . . . . 0.0 111.724 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -57.32 -37.56 72.68 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.051 0.842 . . . . 0.0 112.874 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 t . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 128.041 2.537 . . . . 0.0 111.546 177.652 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.2 m80 . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -53.93 -47.68 70.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.913 1.685 . . . . 0.0 110.201 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -39.71 68.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.081 1.352 . . . . 0.0 112.263 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -61.04 -52.15 66.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.703 0.801 . . . . 0.0 109.303 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.8 mmt -58.32 -38.37 76.98 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.356 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.18 -45.2 93.93 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.639 1.563 . . . . 0.0 111.61 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -59.45 -46.48 88.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.591 0.756 . . . . 0.0 110.193 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.0 -53.21 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.582 1.553 . . . . 0.0 110.569 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.38 -52.01 41.07 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.858 2.863 . . . . 0.0 111.639 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.73 -45.56 77.95 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.057 1.343 . . . . 0.0 111.881 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.42 -51.4 63.36 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.663 -0.648 . . . . 0.0 110.293 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.98 -49.57 5.98 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 128.265 2.626 . . . . 0.0 114.893 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 p -61.78 -50.74 71.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.871 0.868 . . . . 0.0 112.221 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -67.65 -42.82 81.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.962 1.705 . . . . 0.0 113.199 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.445 ' HB3' HH12 ' A' ' 68' ' ' ARG . 48.7 t -59.1 143.78 47.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.362 1.865 . . . . 0.0 112.547 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -130.58 -2.22 4.3 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.429 1.892 . . . . 0.0 113.09 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.63 65.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.13 1.372 . . . . 0.0 113.741 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.53 -99.79 0.11 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.375 1.464 . . . . 0.0 113.539 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -56.11 -42.37 76.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.637 1.575 . . . . 0.0 111.617 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 -16.9 58.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.985 1.714 . . . . 0.0 114.666 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.24 122.84 18.74 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.348 0.976 . . . . 0.0 111.249 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -68.67 -26.7 65.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.96 1.304 . . . . 0.0 113.303 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.21 116.66 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.925 1.29 . . . . 0.0 111.195 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.54 9.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.152 1.781 . . . . 0.0 112.514 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -58.34 -39.73 80.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.176 1.791 . . . . 0.0 113.803 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.2 t -59.29 -60.03 4.51 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.035 1.334 . . . . 0.0 110.013 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.95 61.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.617 1.167 . . . . 0.0 112.085 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.7 m -62.4 -59.19 5.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.599 1.56 . . . . 0.0 112.878 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -54.9 -42.96 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.827 1.651 . . . . 0.0 112.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.445 HH12 ' HB3' ' A' ' 53' ' ' CYS . 3.1 mtt85 -54.84 -48.78 72.43 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.365 -0.835 . . . . 0.0 110.424 173.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -55.58 33.29 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.943 1.697 . . . . 0.0 113.071 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -45.53 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.201 0.909 . . . . 0.0 112.462 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.62 -40.95 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.548 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -52.74 -50.96 62.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.374 0.67 . . . . 0.0 110.049 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.36 -61.84 2.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.206 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.407 ' CD1' ' HA ' ' A' ' 85' ' ' CYS . 4.8 t90 -48.94 -44.43 40.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -66.44 -49.83 65.4 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.453 1.101 . . . . 0.0 112.235 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.35 -39.87 92.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.034 1.333 . . . . 0.0 113.662 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.3 t -60.72 115.71 3.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.976 1.711 . . . . 0.0 112.843 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -130.65 19.49 5.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.476 2.31 . . . . 0.0 111.236 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -62.35 154.03 29.25 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.743 2.817 . . . . 0.0 112.148 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -49.72 -52.21 33.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.986 1.314 . . . . 0.0 110.45 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.66 137.25 16.86 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.352 1.461 . . . . 0.0 112.712 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.28 141.2 38.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.787 2.835 . . . . 0.0 105.14 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.72 -10.25 13.73 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.944 3.096 . . . . 0.0 117.185 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.2 t -128.16 -49.04 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 120.048 1.294 . . . . 0.0 111.509 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 8.3 m -54.88 -58.59 6.99 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.802 1.641 . . . . 0.0 112.55 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.86 -58.66 9.49 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.675 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -54.11 -44.01 53.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 122.527 1.938 . . . . 0.0 113.482 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.85 -48.51 81.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.82 1.248 . . . . 0.0 112.32 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 mttm . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 124.856 1.263 . . . . 0.0 111.696 177.63 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.1 130.88 23.85 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.272 1.829 . . . . 0.0 108.473 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.43 -172.57 1.17 Allowed 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.985 3.123 . . . . 0.0 113.231 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.86 62.77 1.06 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.412 1.885 . . . . 0.0 108.364 171.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.43 169.71 11.9 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.495 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -140.15 169.83 16.97 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.105 0.962 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p -52.39 -50.29 62.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.84 1.256 . . . . 0.0 109.958 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -52.49 -61.97 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.534 1.533 . . . . 0.0 112.073 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -52.7 35.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.579 1.152 . . . . 0.0 111.962 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.23 -50.26 73.81 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.327 1.051 . . . . 0.0 112.424 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.39 -43.84 88.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.91 1.284 . . . . 0.0 111.916 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -59.63 -49.03 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.678 1.591 . . . . 0.0 111.549 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -74.76 -39.61 61.7 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -134.94 77.69 55.97 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.867 1.267 . . . . 0.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.33 125.44 19.17 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.023 3.149 . . . . 0.0 114.181 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.99 124.06 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.231 1.413 . . . . 0.0 108.688 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.695 0.759 . . . . 0.0 112.685 -176.914 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 30.2 mt . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.39 132.95 10.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.098 2.559 . . . . 0.0 109.553 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 165.61 26.98 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.46 -145.66 27.12 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.472 1.987 . . . . 0.0 116.159 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.93 -33.8 57.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -57.29 -27.09 61.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.92 0.888 . . . . 0.0 112.433 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -62.11 2.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 108.532 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.44 -42.92 71.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.254 1.422 . . . . 0.0 110.844 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -55.92 -50.67 70.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.438 1.495 . . . . 0.0 110.947 173.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.21 94.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.5 1.12 . . . . 0.0 111.968 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.51 -38.84 91.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.713 1.205 . . . . 0.0 112.458 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.37 -32.14 73.62 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -56.66 -14.98 3.69 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.99 -39.91 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.315 1.846 . . . . 0.0 112.597 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.155 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -141.33 137.36 16.55 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.493 1.917 . . . . 0.0 110.415 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -58.67 -42.69 51.39 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.956 2.437 . . . . 0.0 113.412 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.36 -41.51 98.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.515 1.052 . . . . 0.0 111.857 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.81 -37.6 74.07 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.091 0.859 . . . . 0.0 110.808 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.43 -45.1 88.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.987 0.812 . . . . 0.0 110.553 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -55.45 -47.22 76.37 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.702 1.201 . . . . 0.0 111.197 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.83 -47.19 85.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.675 1.59 . . . . 0.0 111.15 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -59.41 -52.45 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.082 1.353 . . . . 0.0 110.027 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -46.73 -56.81 5.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.541 1.937 . . . . 0.0 112.477 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.52 -49.23 75.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.873 0.76 . . . . 0.0 112.385 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.76 -35.52 76.63 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.104 0.865 . . . . 0.0 112.778 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.01 -55.52 31.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.551 1.541 . . . . 0.0 108.626 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.93 -46.46 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.594 1.558 . . . . 0.0 111.89 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -57.52 -51.31 69.97 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.459 1.027 . . . . 0.0 112.127 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.43 -42.56 82.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.211 1.405 . . . . 0.0 111.997 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.33 -50.1 74.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.076 0.95 . . . . 0.0 110.682 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -54.13 -49.93 68.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.232 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.14 -55.04 2.73 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.663 1.585 . . . . 0.0 113.602 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.59 -39.26 64.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.143 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -53.53 -49.99 66.42 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.535 1.516 . . . . 0.0 110.167 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 128.956 2.902 . . . . 0.0 110.637 175.087 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.7 t -53.0 -46.55 68.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.028 0.931 . . . . 0.0 109.473 172.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -53.3 -47.39 69.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.794 1.638 . . . . 0.0 111.546 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -57.56 -52.64 64.59 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.438 1.095 . . . . 0.0 110.034 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.9 mmt -59.74 -40.82 89.35 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.483 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -57.8 -44.2 86.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.461 1.482 . . . . 0.0 111.386 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -61.28 -48.95 79.05 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.872 0.869 . . . . 0.0 110.401 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.0 t -55.31 -56.02 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.579 1.552 . . . . 0.0 110.273 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.03 -55.87 9.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.442 3.097 . . . . 0.0 111.941 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -51.11 -56.58 11.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.402 1.081 . . . . 0.0 110.786 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -56.32 -47.53 78.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.951 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -49.63 15.0 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.592 1.957 . . . . 0.0 112.918 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -45.3 94.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.825 0.85 . . . . 0.0 112.958 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -71.08 -45.53 63.56 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.424 1.09 . . . . 0.0 112.681 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.74 106.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.756 2.423 . . . . 0.0 111.902 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.69 -16.58 60.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.875 1.27 . . . . 0.0 113.883 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.53 -177.72 2.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.151 1.38 . . . . 0.0 112.722 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.26 -109.32 1.75 Allowed Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.706 1.622 . . . . 0.0 110.462 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.28 67.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.65 0.78 . . . . 0.0 112.829 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.38 71.35 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.96 121.38 11.67 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.653 1.115 . . . . 0.0 110.228 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.07 -23.91 67.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.168 1.387 . . . . 0.0 114.444 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 115.96 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.954 1.302 . . . . 0.0 109.648 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.09 -55.93 4.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.519 1.927 . . . . 0.0 113.637 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -63.78 -45.97 87.34 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.854 1.262 . . . . 0.0 113.35 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.13 -49.7 73.18 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.751 1.221 . . . . 0.0 110.758 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.65 -60.53 3.31 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.13 0.972 . . . . 0.0 110.306 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.7 m -55.85 -52.67 63.23 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.525 2.33 . . . . 0.0 115.545 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 p -51.78 -33.11 33.81 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.318 1.847 . . . . 0.0 115.149 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -58.9 -54.36 48.02 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.237 -0.914 . . . . 0.0 111.501 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.45 -51.02 66.31 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.388 0.994 . . . . 0.0 113.102 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -52.53 -43.37 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.24 0.927 . . . . 0.0 112.958 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.82 -42.27 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.653 0.781 . . . . 0.0 111.454 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 m -52.94 -48.3 67.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.443 1.097 . . . . 0.0 110.527 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.63 -63.31 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 109.601 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -49.92 -45.24 50.87 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -64.17 -44.13 93.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.01 -42.48 63.19 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.766 1.226 . . . . 0.0 113.466 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 128.67 38.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.898 1.679 . . . . 0.0 113.649 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -135.1 14.96 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.203 2.201 . . . . 0.0 111.228 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -62.62 135.31 57.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.263 2.225 . . . . 0.0 111.059 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -53.51 -39.0 64.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.816 1.646 . . . . 0.0 114.636 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -141.27 45.89 1.74 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.24 137.53 97.15 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -58.8 -15.39 26.33 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.029 3.153 . . . . 0.0 116.618 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 -51.66 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.606 1.093 . . . . 0.0 110.914 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 m -53.92 -49.42 68.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.312 1.845 . . . . 0.0 113.127 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.58 -62.36 4.64 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 116.942 -1.504 . . . . 0.0 112.487 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -57.33 -35.01 98.86 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.406 2.071 . . . . 0.0 113.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.3 -49.67 66.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.857 0.863 . . . . 0.0 111.578 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 125.522 1.529 . . . . 0.0 111.536 178.127 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -130.19 119.85 18.87 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.226 1.41 . . . . 0.0 108.36 170.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.21 174.13 13.34 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.245 2.63 . . . . 0.0 112.402 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -112.29 64.83 0.63 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.85 1.26 . . . . 0.0 108.728 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.19 167.46 16.18 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.764 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -136.99 170.04 16.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.342 1.057 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.0 p -52.63 -53.91 40.5 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.391 1.077 . . . . 0.0 109.689 173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -51.07 -57.29 9.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.647 1.579 . . . . 0.0 111.994 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -52.66 -51.09 61.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.642 0.656 . . . . 0.0 112.152 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.12 -49.11 77.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.738 0.815 . . . . 0.0 112.231 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.68 -41.57 73.91 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.195 1.398 . . . . 0.0 112.191 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 14.3 t -71.14 -52.72 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.857 2.063 . . . . 0.0 112.396 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -77.22 -31.19 55.0 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -174.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.34 70.44 67.93 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 124.593 1.157 . . . . 0.0 111.668 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.38 132.72 53.86 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.754 2.969 . . . . 0.0 113.557 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.5 mt -69.03 132.47 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.789 1.235 . . . . 0.0 108.927 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 123.201 0.6 . . . . 0.0 112.374 179.77 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 132.83 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 129.172 2.989 . . . . 0.0 109.276 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -131.1 163.61 27.28 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 47.45 -140.12 8.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.184 2.326 . . . . 0.0 116.404 174.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -55.84 -30.71 61.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.55 -31.34 62.06 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 118.278 -0.868 . . . . 0.0 112.064 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.57 -61.98 2.19 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.658 1.183 . . . . 0.0 107.831 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.7 -47.52 70.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.206 1.403 . . . . 0.0 111.301 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -54.3 -45.88 72.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.955 1.302 . . . . 0.0 111.23 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.15 65.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.43 1.092 . . . . 0.0 111.045 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.17 -43.38 82.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.061 0.944 . . . . 0.0 112.441 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.34 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.928 1.691 . . . . 0.0 115.107 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.18 -21.67 66.65 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.39 115.02 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.663 1.185 . . . . 0.0 109.604 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.83 1.252 . . . . 0.0 113.29 -179.875 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.748 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -142.29 134.3 13.42 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.439 1.896 . . . . 0.0 110.637 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -61.09 -44.94 21.47 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.269 2.646 . . . . 0.0 113.669 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.64 -40.7 95.91 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.131 1.332 . . . . 0.0 111.519 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.75 -36.14 73.87 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.155 -0.966 . . . . 0.0 110.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -46.11 89.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.454 1.102 . . . . 0.0 109.902 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -56.0 -48.38 76.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.261 1.424 . . . . 0.0 111.007 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -57.43 -44.22 84.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.389 1.076 . . . . 0.0 110.858 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.81 -49.26 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.086 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -51.49 -52.23 48.43 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.669 1.122 . . . . 0.0 111.023 176.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -52.56 -59.52 4.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.802 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -57.59 -38.82 75.54 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -55.4 34.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.24 1.416 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.31 -51.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.182 1.393 . . . . 0.0 112.169 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.1 mt -56.13 -46.9 79.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.34 0.973 . . . . 0.0 112.253 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.36 -46.57 89.65 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.679 1.192 . . . . 0.0 112.689 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.5 -53.53 57.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.578 1.151 . . . . 0.0 110.306 176.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -54.64 -50.67 67.59 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 110.56 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -60.23 1.86 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.713 1.605 . . . . 0.0 113.245 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.33 -42.84 99.34 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.34 -0.85 . . . . 0.0 112.341 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -56.87 -43.45 81.23 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.296 1.038 . . . . 0.0 111.494 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 129.013 2.925 . . . . 0.0 112.556 177.737 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.78 -47.98 70.22 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.416 1.486 . . . . 0.0 109.518 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -57.69 -38.23 74.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.591 1.556 . . . . 0.0 112.543 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -62.47 -52.91 61.65 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.665 0.786 . . . . 0.0 109.524 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -39.03 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.541 0.609 . . . . 0.0 111.525 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -62.04 -44.2 97.21 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.801 1.241 . . . . 0.0 112.054 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -60.77 -49.01 79.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.801 0.84 . . . . 0.0 110.066 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.3 t -53.42 -54.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.933 1.693 . . . . 0.0 109.902 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.49 -55.29 16.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.279 2.632 . . . . 0.0 112.315 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -55.06 -43.02 73.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.637 1.175 . . . . 0.0 111.975 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -68.08 -48.22 66.13 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.303 0.641 . . . . 0.0 110.711 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -48.86 7.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.569 2.748 . . . . 0.0 114.845 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -61.05 -48.77 80.22 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 112.244 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -69.81 -50.85 38.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.023 1.729 . . . . 0.0 112.323 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.72 134.47 54.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.69 1.996 . . . . 0.0 112.213 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -117.19 -5.6 11.35 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.62 1.568 . . . . 0.0 112.593 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.66 60.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.706 1.603 . . . . 0.0 112.916 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.16 -99.43 0.11 Allowed Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.116 1.341 . . . . 0.0 113.191 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.56 -40.49 75.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 111.813 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.94 -17.51 58.85 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.549 1.54 . . . . 0.0 114.735 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.6 134.97 52.17 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.397 0.998 . . . . 0.0 111.055 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.6 -35.0 79.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.97 124.49 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.457 1.503 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.04 -62.02 2.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.304 1.042 . . . . 0.0 112.233 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -47.76 -37.43 13.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.665 2.386 . . . . 0.0 114.307 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.2 t -55.51 -48.94 73.84 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.054 2.142 . . . . 0.0 111.44 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.99 66.09 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.288 -0.882 . . . . 0.0 111.249 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -60.41 3.31 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.148 1.379 . . . . 0.0 112.22 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 p -50.61 -42.27 55.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.659 1.984 . . . . 0.0 114.415 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -61.86 -49.98 74.08 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.195 -0.941 . . . . 0.0 110.989 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -54.44 39.19 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.607 1.963 . . . . 0.0 112.665 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.53 -41.36 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.82 -41.34 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.897 0.771 . . . . 0.0 111.209 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -51.69 -47.1 64.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.908 0.776 . . . . 0.0 110.14 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -56.51 -65.86 0.54 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.617 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -51.36 -43.14 61.76 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -61.11 -52.16 66.06 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.375 1.07 . . . . 0.0 112.27 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.63 -40.21 63.93 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.164 1.386 . . . . 0.0 114.148 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 40.1 t -55.14 123.5 13.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.748 1.619 . . . . 0.0 111.952 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -124.35 13.83 8.9 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.926 1.69 . . . . 0.0 111.97 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 67.4 ttt180 -66.96 122.62 18.13 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.086 1.755 . . . . 0.0 109.665 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -69.77 1.51 4.25 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.404 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 4.6 p-10 -147.15 20.01 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.0 137.15 93.93 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 119.835 1.198 . . . . 0.0 108.79 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -54.51 -30.32 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.136 3.224 . . . . 0.0 116.533 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -51.72 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.382 0.992 . . . . 0.0 111.227 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.1 m -54.88 -52.58 62.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.234 1.814 . . . . 0.0 112.36 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.66 -61.09 4.67 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 117.049 -1.453 . . . . 0.0 113.085 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -56.67 -42.35 66.01 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.022 1.758 . . . . 0.0 112.316 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.84 -50.3 72.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 112.825 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttm . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.362 . . . . 0.0 111.312 177.48 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -143.51 127.67 9.38 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.582 1.953 . . . . 0.0 110.186 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -82.37 -179.14 4.43 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.649 2.899 . . . . 0.0 112.171 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -128.41 64.44 1.42 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.345 1.858 . . . . 0.0 108.128 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.65 108.62 2.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.546 1.538 . . . . 0.0 109.53 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 48.3 p -72.7 170.75 13.89 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.553 0.692 . . . . 0.0 111.24 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -51.49 -51.66 53.19 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.523 1.129 . . . . 0.0 109.645 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -52.89 -57.29 10.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.355 1.862 . . . . 0.0 111.567 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -49.43 -54.18 18.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.042 0.937 . . . . 0.0 111.861 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.72 -57.16 14.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.1 -44.16 78.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.099 1.36 . . . . 0.0 112.983 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.72 -54.29 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.021 1.729 . . . . 0.0 112.434 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.87 -33.78 57.83 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.75 74.99 68.84 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 124.714 1.206 . . . . 0.0 112.602 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.2 163.19 10.39 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.504 3.47 . . . . 0.0 112.969 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 14.8 mt -112.67 135.49 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.658 1.183 . . . . 0.0 110.788 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.775 0.83 . . . . 0.0 111.51 179.227 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 136.81 57.97 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.006 2.122 . . . . 0.0 109.544 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -124.16 158.38 32.47 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 41.81 -135.07 3.4 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 128.149 2.785 . . . . 0.0 117.639 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.92 -36.34 59.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.916 1.287 . . . . 0.0 113.954 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.54 -28.87 61.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.766 0.826 . . . . 0.0 112.233 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.51 -64.32 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.051 0.941 . . . . 0.0 108.648 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.81 -42.91 68.9 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.022 1.329 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.48 -50.55 72.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.885 1.274 . . . . 0.0 110.951 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.61 99.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.624 1.169 . . . . 0.0 112.044 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.98 -41.52 95.35 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.569 1.147 . . . . 0.0 112.528 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -60.03 -37.86 81.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -54.82 -13.41 1.05 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.1 -35.64 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.743 1.617 . . . . 0.0 112.137 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.113 1.365 . . . . 0.0 114.495 -177.748 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.374 0.131 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -143.97 138.37 14.99 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.624 1.57 . . . . 0.0 111.212 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.56 -40.67 63.76 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.977 2.451 . . . . 0.0 113.591 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.82 -40.08 91.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.689 1.131 . . . . 0.0 111.596 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.07 -38.02 78.44 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.536 -0.728 . . . . 0.0 110.375 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.66 -44.55 95.97 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.748 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.68 -49.96 69.39 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.642 1.11 . . . . 0.0 110.933 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.37 -45.94 87.26 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.39 1.476 . . . . 0.0 111.479 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.04 -51.31 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.729 1.212 . . . . 0.0 109.713 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -52.42 -49.33 64.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.524 1.13 . . . . 0.0 111.162 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -54.89 -53.88 49.72 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.725 1.21 . . . . 0.0 110.926 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -56.99 -44.11 82.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.197 0.999 . . . . 0.0 111.785 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.77 -54.98 37.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.982 1.713 . . . . 0.0 109.206 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.1 t -55.3 -55.95 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.173 1.389 . . . . 0.0 111.83 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 33.9 mt -58.54 -42.02 86.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.886 0.766 . . . . 0.0 112.938 -179.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.96 -49.56 74.25 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.165 0.893 . . . . 0.0 111.701 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.22 -49.05 75.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.249 0.619 . . . . 0.0 110.317 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -54.21 -52.04 62.53 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.436 1.094 . . . . 0.0 111.115 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.93 -50.29 10.6 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.535 1.516 . . . . 0.0 114.007 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -65.05 -48.28 74.37 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.389 -0.819 . . . . 0.0 111.7 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -54.55 -46.12 73.58 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.779 1.231 . . . . 0.0 110.916 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 128.213 2.605 . . . . 0.0 111.44 177.542 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 43.2 t -61.77 -48.86 78.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.82 0.848 . . . . 0.0 109.187 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.36 -46.14 76.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.963 1.305 . . . . 0.0 110.208 173.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 m -54.55 -51.21 65.92 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.14 0.976 . . . . 0.0 110.496 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.433 ' HG3' ' HB3' ' A' ' 15' ' ' LEU . 32.7 mmt -60.58 -39.22 87.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.294 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 45.4 mttp -61.71 -42.0 98.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.489 1.495 . . . . 0.0 111.413 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.4 -47.62 85.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.571 0.748 . . . . 0.0 109.919 174.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.5 t -57.04 -48.62 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.485 1.514 . . . . 0.0 110.201 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.68 -51.4 60.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.154 2.182 . . . . 0.0 111.712 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -55.61 -54.14 47.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.265 1.026 . . . . 0.0 110.66 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -53.11 -51.06 63.12 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.128 0.971 . . . . 0.0 111.903 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.438 ' HE3' HD22 ' B' ' 141' ' ' LEU . 24.6 mtp -48.84 -43.49 38.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.89 1.676 . . . . 0.0 113.997 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -39.26 90.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.735 0.698 . . . . 0.0 112.625 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -74.97 -53.52 8.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.581 1.152 . . . . 0.0 112.018 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.4 144.91 56.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.051 1.74 . . . . 0.0 110.791 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -130.62 6.29 4.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.827 1.651 . . . . 0.0 112.239 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.19 -67.57 0.75 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.475 1.11 . . . . 0.0 112.449 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.02 -72.25 1.37 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.514 1.055 . . . . 0.0 112.869 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -59.48 -55.08 39.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.05 1.74 . . . . 0.0 111.309 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.65 -19.28 45.65 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.545 1.538 . . . . 0.0 114.659 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.34 127.95 33.75 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.866 0.841 . . . . 0.0 111.152 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -65.84 -30.54 71.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.12 1.368 . . . . 0.0 113.149 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.94 116.94 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.155 1.382 . . . . 0.0 110.82 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.01 -51.93 38.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.722 1.609 . . . . 0.0 112.062 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -61.09 -38.07 84.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 117.274 -1.346 . . . . 0.0 113.63 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.22 -54.83 42.39 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 120.829 1.65 . . . . 0.0 110.127 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.55 70.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.271 1.028 . . . . 0.0 112.393 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -69.07 -56.39 7.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.046 1.738 . . . . 0.0 114.135 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 p -50.6 -49.34 56.76 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.213 2.205 . . . . 0.0 113.646 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -55.61 -45.04 77.55 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.203 -0.936 . . . . 0.0 110.458 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -55.62 32.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.298 1.839 . . . . 0.0 112.35 176.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 pt -54.42 -43.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.173 0.897 . . . . 0.0 112.264 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.05 -39.65 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.431 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.4 m -53.13 -51.02 63.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.702 1.137 . . . . 0.0 109.934 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.36 -63.66 1.12 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 123.623 0.769 . . . . 0.0 110.07 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -51.53 -41.29 60.93 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.56 -53.59 39.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.381 0.672 . . . . 0.0 112.037 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.35 -34.98 77.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.894 1.278 . . . . 0.0 114.257 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.36 129.35 39.54 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.291 1.437 . . . . 0.0 112.942 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 p -126.63 2.75 6.81 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.523 2.329 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 68.0 ttt180 -57.55 124.69 19.88 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.231 1.812 . . . . 0.0 110.258 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.47 5.97 6.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.176 1.39 . . . . 0.0 114.205 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.415 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 4.1 p-10 -148.28 19.92 1.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.469 1.508 . . . . 0.0 114.573 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.6 137.05 96.35 Favored Pre-proline 0 CA--C 1.552 1.053 0 CA-C-N 119.468 1.031 . . . . 0.0 108.311 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -59.5 -9.51 9.11 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.949 3.099 . . . . 0.0 116.106 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.78 -54.22 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 119.733 1.151 . . . . 0.0 110.36 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -56.13 -38.9 71.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.091 1.756 . . . . 0.0 112.878 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.91 -62.57 4.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-O 117.195 -1.383 . . . . 0.0 111.574 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -55.97 -40.49 84.68 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 122.081 1.779 . . . . 0.0 112.613 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.72 -46.55 88.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.966 -1.084 . . . . 0.0 112.701 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? . . . . . 0 N--CA 1.478 0.948 0 CA-C-N 119.839 1.199 . . . . 0.0 112.616 176.752 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.7 126.98 24.93 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.478 1.511 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -82.32 176.97 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.226 2.617 . . . . 0.0 112.95 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -118.55 63.03 0.77 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.533 1.533 . . . . 0.0 108.76 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.16 168.45 15.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.907 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.4 p -138.74 168.31 20.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.316 1.047 . . . . 0.0 110.5 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 10.9 p -53.64 -50.65 65.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.439 1.095 . . . . 0.0 109.461 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.09 -58.63 5.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.077 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.14 -50.7 66.35 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.667 0.667 . . . . 0.0 112.06 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.43 -48.67 80.76 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.081 0.952 . . . . 0.0 111.976 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.43 -48.76 76.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.217 1.407 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.55 -49.93 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.176 1.79 . . . . 0.0 112.083 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -74.12 -39.96 62.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.65 76.84 47.06 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.59 1.156 . . . . 0.0 111.993 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -55.4 136.27 72.94 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.033 3.155 . . . . 0.0 114.414 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 25.7 mt -71.11 137.67 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.128 1.771 . . . . 0.0 108.828 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 N--CA 1.475 0.787 0 CA-C-N 119.195 0.907 . . . . 0.0 110.622 176.843 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 126.87 15.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.341 2.256 . . . . 0.0 109.184 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -146.02 159.56 43.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.27 -147.11 49.74 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.107 1.813 . . . . 0.0 114.363 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -50.44 -38.03 41.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.569 1.148 . . . . 0.0 113.761 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.8 -33.44 56.03 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.708 1.203 . . . . 0.0 112.87 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.438 HD22 ' HE3' ' A' ' 50' ' ' MET . 39.3 mt -54.81 -61.12 2.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.084 0.954 . . . . 0.0 109.129 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.3 -43.43 83.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.436 1.094 . . . . 0.0 111.346 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -56.61 -50.28 72.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.989 0.916 . . . . 0.0 110.934 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.9 93.32 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.836 1.255 . . . . 0.0 111.935 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.11 -41.96 80.98 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.54 1.136 . . . . 0.0 112.983 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.42 -38.04 73.71 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.79 -17.42 0.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.42 -38.78 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.091 1.356 . . . . 0.0 111.823 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -141.07 117.55 7.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.112 1.765 . . . . 0.0 110.908 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.2 -41.55 21.9 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.16 3.24 . . . . 0.0 114.392 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.48 -48.46 81.54 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.157 0.983 . . . . 0.0 111.397 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.76 -32.54 71.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.091 0.956 . . . . 0.0 111.605 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -62.63 -38.88 91.97 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.562 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.12 -48.6 79.7 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.675 1.125 . . . . 0.0 110.691 173.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -55.78 -50.91 69.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.064 1.345 . . . . 0.0 110.444 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.25 -51.36 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.437 1.895 . . . . 0.0 110.973 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -49.41 -51.67 33.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.473 1.509 . . . . 0.0 110.847 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -56.88 -58.34 8.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.277 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -50.05 -46.54 53.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.773 1.229 . . . . 0.0 113.157 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.6 -57.76 10.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.783 2.033 . . . . 0.0 109.935 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.02 -46.29 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 112.416 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.8 mt -58.86 -45.26 90.54 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.795 1.18 . . . . 0.0 111.935 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.39 -44.58 92.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.42 1.088 . . . . 0.0 111.39 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.61 -47.52 81.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.831 0.853 . . . . 0.0 110.241 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -53.46 -50.07 66.06 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.507 1.123 . . . . 0.0 110.778 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.41 -55.62 4.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.03 1.332 . . . . 0.0 112.546 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -65.12 -49.96 67.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.315 0.646 . . . . 0.0 112.342 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.28 -51.63 32.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.829 1.652 . . . . 0.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 128.569 2.748 . . . . 0.0 110.989 177.704 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.7 m80 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -51.28 -53.4 36.11 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.267 1.427 . . . . 0.0 110.372 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.86 -42.31 71.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.386 1.474 . . . . 0.0 112.048 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -59.9 -50.47 73.65 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 110.062 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.7 mmt -61.58 -37.12 82.68 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.527 -0.733 . . . . 0.0 112.347 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -59.37 -41.84 90.26 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.308 1.413 . . . . 0.0 111.231 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.37 -48.51 79.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.838 0.855 . . . . 0.0 110.31 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.65 -56.26 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.068 1.347 . . . . 0.0 109.845 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.87 -55.81 7.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.871 2.868 . . . . 0.0 111.865 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -52.25 -55.83 18.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.171 0.988 . . . . 0.0 111.038 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -55.35 -48.54 74.08 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.421 0.688 . . . . 0.0 111.318 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -45.97 30.62 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.15 2.18 . . . . 0.0 113.535 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -42.69 99.84 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.702 0.801 . . . . 0.0 112.857 178.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -72.83 -50.6 23.07 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.301 1.04 . . . . 0.0 112.273 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.14 140.04 58.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.211 1.804 . . . . 0.0 112.143 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -125.49 -6.03 7.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.989 1.716 . . . . 0.0 113.394 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.94 62.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.143 1.377 . . . . 0.0 112.147 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.83 -87.83 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.289 1.423 . . . . 0.0 113.759 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -55.83 -50.29 70.96 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 0.0 112.045 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.6 -17.57 59.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.976 1.711 . . . . 0.0 115.26 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.96 128.01 33.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.342 0.974 . . . . 0.0 110.804 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.1 -32.51 73.91 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.12 1.368 . . . . 0.0 113.432 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -67.13 116.98 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.819 1.248 . . . . 0.0 110.059 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.16 -56.38 9.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.338 1.455 . . . . 0.0 112.229 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -57.91 -44.1 86.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.241 -1.361 . . . . 0.0 113.492 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 54.1 t -54.86 -52.26 63.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.507 1.503 . . . . 0.0 110.55 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.73 -59.09 5.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.738 0.815 . . . . 0.0 110.912 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -58.99 -54.48 46.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.121 2.169 . . . . 0.0 116.035 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 p -48.97 -34.34 12.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.859 2.063 . . . . 0.0 115.1 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.08 -39.83 95.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.832 -1.167 . . . . 0.0 112.107 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -51.26 58.39 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.208 0.913 . . . . 0.0 111.783 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.4 pt -52.34 -42.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.095 0.861 . . . . 0.0 112.17 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.45 -45.02 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.836 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.2 m -51.4 -50.8 58.92 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.884 0.766 . . . . 0.0 110.407 174.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.59 -66.9 0.32 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.471 1.508 . . . . 0.0 110.947 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -52.51 -44.96 66.05 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.825 1.193 . . . . 0.0 113.946 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.87 -45.83 82.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.787 1.235 . . . . 0.0 112.364 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -79.99 -41.09 26.57 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.4 t -58.94 138.72 57.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.583 1.553 . . . . 0.0 113.419 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -134.49 10.82 3.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.13 2.172 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -61.7 127.56 32.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.358 1.463 . . . . 0.0 111.903 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -62.06 -15.49 45.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.147 1.779 . . . . 0.0 115.349 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -142.96 28.46 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.17 138.69 97.5 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.37 -3.88 5.84 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.92 3.08 . . . . 0.0 116.566 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.85 -47.82 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.601 1.091 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 m -56.07 -49.09 74.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.075 1.75 . . . . 0.0 112.173 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.35 -61.45 4.52 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.246 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -57.74 -42.86 55.23 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.387 2.058 . . . . 0.0 112.633 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.0 mt -57.03 -51.48 69.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.236 1.015 . . . . 0.0 111.692 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 125.814 1.645 . . . . 0.0 111.537 177.313 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.124 0 N-CA-C 107.725 -2.15 . . . . 0.0 107.725 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 mt -133.89 140.54 36.74 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 127.435 2.294 . . . . 0.0 108.793 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -82.18 173.19 11.09 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.898 2.399 . . . . 0.0 113.289 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.17 65.41 0.73 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.54 1.536 . . . . 0.0 108.108 172.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.61 170.81 11.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.381 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.9 p -137.26 170.69 15.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.185 1.394 . . . . 0.0 109.347 176.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.7 p -56.71 -50.14 73.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.646 0.778 . . . . 0.0 109.714 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -51.95 -55.23 21.6 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.073 1.749 . . . . 0.0 111.938 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -52.15 -50.62 61.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.69 0.796 . . . . 0.0 111.798 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 76.2 m -61.02 -51.08 70.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.538 1.135 . . . . 0.0 112.203 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.22 -48.79 70.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.686 1.194 . . . . 0.0 111.805 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.42 -53.99 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.579 1.952 . . . . 0.0 112.701 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -74.81 -36.31 62.46 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.43 76.63 78.53 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.634 1.174 . . . . 0.0 111.682 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.67 135.57 71.22 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.71 2.94 . . . . 0.0 112.521 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.43 125.66 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.417 1.087 . . . . 0.0 108.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 114.387 -176.814 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 122.004 0.907 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.73 143.23 50.1 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.254 2.622 . . . . 0.0 108.447 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.989 -1.069 . . . . 0.0 113.449 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.78 -147.15 33.77 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.298 1.904 . . . . 0.0 115.564 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.42 -30.76 61.06 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.52 -29.04 61.42 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.333 0.969 . . . . 0.0 111.997 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.02 -64.13 1.06 Allowed 'General case' 0 C--N 1.344 0.355 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 mt -54.11 -45.85 71.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 111.521 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -54.05 -48.06 70.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.02 175.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.29 89.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.132 0.973 . . . . 0.0 111.865 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.35 -45.62 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.41 1.004 . . . . 0.0 112.585 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.51 -24.39 65.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.86 -24.32 61.96 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -64.62 118.73 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.388 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -140.99 117.36 7.54 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.367 1.867 . . . . 0.0 110.741 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -46.07 -44.28 19.41 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.075 3.183 . . . . 0.0 114.379 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.33 -43.9 92.67 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.538 0.735 . . . . 0.0 112.159 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -60.47 -36.98 79.56 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.439 -0.788 . . . . 0.0 110.979 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.06 -44.76 96.89 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.242 0.928 . . . . 0.0 110.979 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -54.42 -46.19 73.15 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.277 1.031 . . . . 0.0 111.173 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.26 -49.86 70.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.015 1.326 . . . . 0.0 111.061 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.97 -48.39 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.378 1.471 . . . . 0.0 110.385 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -51.51 -52.88 43.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.102 1.361 . . . . 0.0 111.087 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.66 -56.08 20.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.031 0.932 . . . . 0.0 110.698 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -57.33 -40.16 77.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.05 -56.31 22.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.207 1.403 . . . . 0.0 108.925 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.34 -50.74 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.339 1.455 . . . . 0.0 112.48 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.85 -45.34 86.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.309 0.959 . . . . 0.0 112.346 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.28 -45.75 92.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.394 1.078 . . . . 0.0 112.176 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.01 -50.17 74.77 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.157 0.983 . . . . 0.0 110.179 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -56.15 -51.65 67.22 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.994 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.94 -50.9 5.76 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.535 1.934 . . . . 0.0 113.641 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -65.87 -45.48 81.98 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.854 -1.154 . . . . 0.0 112.16 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' B' ' 146' ' ' ASP . 5.6 mptp? -55.95 -42.76 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.645 0.657 . . . . 0.0 111.608 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 127.888 2.475 . . . . 0.0 111.166 178.116 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 t -52.71 -42.76 65.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.651 1.98 . . . . 0.0 111.938 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -52.34 -49.62 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.356 1.463 . . . . 0.0 110.795 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m -57.45 -56.18 25.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.65 1.18 . . . . 0.0 110.308 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -42.09 77.8 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.75 0.704 . . . . 0.0 112.732 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.4 mtmm -62.89 -44.55 95.81 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.805 1.184 . . . . 0.0 112.141 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.21 -47.43 86.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.569 0.748 . . . . 0.0 110.376 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.2 t -54.49 -57.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.317 1.847 . . . . 0.0 109.754 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.57 -54.08 12.76 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.007 2.523 . . . . 0.0 112.235 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.6 -42.12 70.75 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.726 1.211 . . . . 0.0 112.477 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -71.44 -48.37 49.93 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.612 -0.68 . . . . 0.0 110.494 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.2 ttm -43.56 -44.51 6.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.284 2.634 . . . . 0.0 114.64 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -63.12 -50.28 71.1 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.617 1.167 . . . . 0.0 111.99 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.93 -33.69 72.49 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.072 1.749 . . . . 0.0 112.969 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.13 140.45 52.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.798 2.039 . . . . 0.0 112.533 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -131.43 -9.57 3.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.714 2.006 . . . . 0.0 113.107 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.6 74.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.681 1.192 . . . . 0.0 112.53 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.39 -110.87 3.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.636 1.112 . . . . 0.0 112.756 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.21 -38.41 90.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.509 1.124 . . . . 0.0 111.392 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.17 -14.53 62.68 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.306 1.842 . . . . 0.0 115.553 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.85 124.99 22.08 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 0.0 110.767 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -64.49 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.893 1.277 . . . . 0.0 113.29 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.82 113.81 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 109.832 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.82 -56.55 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.267 1.827 . . . . 0.0 112.662 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -57.87 -46.63 84.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.728 1.611 . . . . 0.0 113.221 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.9 t -57.67 -58.02 10.17 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.453 1.501 . . . . 0.0 111.245 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.31 -47.88 62.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.495 1.118 . . . . 0.0 111.178 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -65.72 -53.91 34.37 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.895 2.078 . . . . 0.0 114.897 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -51.31 -31.27 21.01 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.492 1.917 . . . . 0.0 115.015 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -60.45 -42.77 96.82 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.045 -1.034 . . . . 0.0 112.093 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -51.93 66.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.784 1.174 . . . . 0.0 112.81 177.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.44 -43.39 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.068 0.849 . . . . 0.0 112.553 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.56 -42.26 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.277 0.631 . . . . 0.0 111.133 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -52.59 -47.74 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.535 0.734 . . . . 0.0 110.723 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.29 -62.56 1.68 Allowed 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.455 1.102 . . . . 0.0 110.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -51.9 -40.64 61.02 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -63.72 -54.76 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 111.658 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 -45.07 80.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.544 1.538 . . . . 0.0 113.981 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.8 t -60.38 133.1 55.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.487 1.915 . . . . 0.0 113.447 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 p -135.14 16.16 3.49 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.409 2.284 . . . . 0.0 111.884 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -62.05 134.76 57.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 111.05 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -57.1 -31.27 65.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.631 1.572 . . . . 0.0 114.765 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -143.74 40.45 1.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.84 137.23 97.04 Favored Pre-proline 0 CA--C 1.558 1.254 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.5 -16.73 37.35 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.14 3.227 . . . . 0.0 117.405 -174.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.44 -48.4 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.694 1.134 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 m -54.67 -53.64 52.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.729 1.612 . . . . 0.0 112.031 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.1 -60.44 6.77 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.697 -1.621 . . . . 0.0 113.183 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.89 -43.04 61.65 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.277 1.849 . . . . 0.0 112.837 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.82 -54.0 51.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.84 0.856 . . . . 0.0 111.873 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttm . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 111.448 177.667 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.241 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 12.4 mt -135.98 120.36 12.98 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 125.829 1.651 . . . . 0.0 108.795 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -81.41 175.73 9.33 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.192 2.595 . . . . 0.0 113.128 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -123.45 67.51 1.01 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.26 1.824 . . . . 0.0 107.73 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.16 169.91 9.48 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.297 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 58.0 p -136.54 164.41 28.24 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.141 0.976 . . . . 0.0 109.984 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -54.48 -49.64 69.62 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.388 0.675 . . . . 0.0 109.98 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.89 -56.04 18.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.489 1.516 . . . . 0.0 111.815 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -53.52 -49.59 67.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.503 0.721 . . . . 0.0 111.653 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -50.47 73.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.07 0.948 . . . . 0.0 112.054 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.93 -37.71 71.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.926 1.291 . . . . 0.0 112.792 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.67 -52.36 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.567 1.947 . . . . 0.0 111.978 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.99 -40.27 63.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.74 1.216 . . . . 0.0 114.263 -175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.28 72.5 81.08 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.496 1.118 . . . . 0.0 111.399 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.52 129.66 27.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.246 3.297 . . . . 0.0 114.476 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 27.7 mt -69.77 124.14 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 CA--C 1.538 0.506 0 CA-C-O 121.573 0.701 . . . . 0.0 112.863 -175.892 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 117.3 4.56 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -143.58 167.03 23.2 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -173.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.48 -146.14 46.82 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.472 1.51 . . . . 0.0 114.291 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.35 -34.88 59.3 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.156 0.978 . . . . 0.0 112.881 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -54.04 -34.09 59.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.815 1.246 . . . . 0.0 112.165 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.92 -64.16 0.95 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.174 0.99 . . . . 0.0 108.851 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.67 -43.36 68.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.955 1.302 . . . . 0.0 111.526 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -57.01 -51.39 69.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.668 1.187 . . . . 0.0 110.98 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.53 72.95 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.896 1.278 . . . . 0.0 111.837 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 73.3 mt -55.6 -46.71 77.26 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.7 1.2 . . . . 0.0 111.661 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' ASP . . . . . 0.442 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 25.1 t70 -66.06 -17.65 64.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -176.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.2 -24.1 67.02 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.663 1.119 . . . . 0.0 113.325 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.63 123.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.252 0 O-C-N 121.031 -1.043 . . . . 0.0 113.1 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.516 0.198 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -145.85 138.16 13.58 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.502 1.521 . . . . 0.0 111.992 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -62.93 -37.16 55.93 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.645 2.897 . . . . 0.0 114.043 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.93 -53.14 58.67 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.2 -39.47 63.73 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.777 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -59.32 -51.5 69.69 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 110.377 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -60.3 -39.49 87.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.117 0.967 . . . . 0.0 112.355 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.87 -47.32 86.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.926 1.29 . . . . 0.0 110.281 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.13 -51.35 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.459 1.503 . . . . 0.0 109.833 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.55 -50.73 52.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.164 1.386 . . . . 0.0 111.358 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -56.69 -58.59 7.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.671 1.188 . . . . 0.0 110.527 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -50.4 -44.04 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.94 1.296 . . . . 0.0 112.466 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.52 -58.25 8.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.021 1.729 . . . . 0.0 110.225 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.88 -42.94 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.44 1.096 . . . . 0.0 112.422 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.2 mt -58.11 -48.81 79.06 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.669 1.122 . . . . 0.0 111.338 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.8 -45.17 90.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.529 1.132 . . . . 0.0 111.578 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.77 -49.2 78.66 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.096 0.958 . . . . 0.0 110.346 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -54.8 -50.28 68.93 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.436 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.33 -49.68 6.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.946 1.298 . . . . 0.0 113.475 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -70.22 -49.47 49.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.609 0.764 . . . . 0.0 111.914 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -52.35 -43.16 64.47 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.034 1.334 . . . . 0.0 111.973 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 129.322 3.049 . . . . 0.0 112.06 178.793 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.5 m170 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.6 t -45.72 -54.34 8.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 112.353 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -52.23 -43.84 64.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.896 1.278 . . . . 0.0 112.457 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -60.54 -48.66 80.78 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.12 0.968 . . . . 0.0 109.853 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.29 -36.97 81.52 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.476 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -59.82 -41.92 92.38 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 120.874 1.67 . . . . 0.0 111.338 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.467 0.707 . . . . 0.0 110.144 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -57.65 -48.69 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.073 1.349 . . . . 0.0 110.273 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.02 -48.35 67.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.791 2.436 . . . . 0.0 112.48 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -59.2 -48.07 82.97 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.195 0.998 . . . . 0.0 111.118 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.99 -52.52 62.65 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.256 0.622 . . . . 0.0 111.658 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.3 mtp -39.36 -54.57 1.86 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.669 2.388 . . . . 0.0 114.591 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.1 p -60.21 -46.16 90.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.388 1.075 . . . . 0.0 113.114 -178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -72.96 -43.8 61.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.342 1.457 . . . . 0.0 112.698 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.5 t -61.54 135.69 57.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.384 1.874 . . . . 0.0 112.073 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -118.58 -6.8 10.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.808 1.643 . . . . 0.0 112.995 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.05 76.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.18 1.392 . . . . 0.0 112.668 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.55 -100.13 0.1 Allowed Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.496 1.522 . . . . 0.0 113.34 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -56.1 -39.79 72.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.651 1.58 . . . . 0.0 111.601 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.22 54.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.67 1.588 . . . . 0.0 115.003 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.37 127.29 32.42 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.657 1.117 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -66.37 -29.0 69.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 113.647 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.35 122.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.147 1.379 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.46 2.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.408 1.883 . . . . 0.0 113.006 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -58.53 -41.54 85.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.969 1.307 . . . . 0.0 113.173 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.6 t -55.91 -52.22 64.88 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.234 1.414 . . . . 0.0 112.35 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.69 85.2 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.066 0.946 . . . . 0.0 111.648 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.1 m -64.33 -52.43 58.47 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.188 1.795 . . . . 0.0 114.083 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -53.07 -38.3 62.39 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.464 2.305 . . . . 0.0 114.412 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -63.51 -50.22 70.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.337 173.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.51 15.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.606 1.962 . . . . 0.0 113.102 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -51.99 -46.27 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 118.853 0.751 . . . . 0.0 112.557 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.3 mm -69.96 -37.89 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.622 0.769 . . . . 0.0 111.63 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -53.27 -48.58 68.18 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.455 1.102 . . . . 0.0 110.041 173.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.96 -63.32 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.172 0.989 . . . . 0.0 110.466 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -54.2 -41.72 68.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -58.99 -43.39 91.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.385 -0.822 . . . . 0.0 111.81 177.4 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -76.86 -50.22 13.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.191 1.397 . . . . 0.0 113.634 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.0 130.53 46.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.665 1.586 . . . . 0.0 114.188 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -135.27 16.09 3.46 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.288 2.235 . . . . 0.0 111.181 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 57.6 ttt180 -62.32 132.48 52.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.233 1.813 . . . . 0.0 111.011 178.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -12.79 8.21 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.454 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 8.9 p-10 -150.73 24.66 0.77 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 138.04 97.12 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 119.762 1.164 . . . . 0.0 108.513 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -60.93 -6.84 6.67 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.25 3.3 . . . . 0.0 117.003 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.03 -51.77 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.857 1.208 . . . . 0.0 110.766 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.35 -50.01 65.93 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.48 1.912 . . . . 0.0 112.633 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.8 -61.43 7.37 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 117.151 -1.404 . . . . 0.0 112.026 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -57.71 -40.96 75.29 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.984 1.79 . . . . 0.0 112.937 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -57.11 -45.59 83.32 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.22 1.373 . . . . 0.0 112.154 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 N--CA 1.472 0.651 0 C-N-CA 125.112 1.365 . . . . 0.0 111.95 178.098 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.292 0 N-CA-C 109.216 -1.553 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 115' ' ' LEU . 15.8 mt -134.97 120.58 14.19 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.077 1.751 . . . . 0.0 107.207 170.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -81.29 174.53 10.59 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 122.966 2.444 . . . . 0.0 114.03 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -117.75 62.82 0.75 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.714 1.606 . . . . 0.0 108.566 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.76 170.42 12.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.438 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 77.0 p -140.76 163.64 32.36 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.873 1.269 . . . . 0.0 109.446 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 80.0 p -55.32 -41.52 72.53 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.885 -0.509 . . . . 0.0 110.647 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -55.83 -56.84 15.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.129 1.372 . . . . 0.0 111.511 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.1 -49.52 68.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.675 0.79 . . . . 0.0 111.423 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.75 -49.67 76.83 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.605 1.162 . . . . 0.0 111.928 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -56.01 -48.35 76.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.605 1.562 . . . . 0.0 111.369 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.65 -51.21 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.334 1.854 . . . . 0.0 112.369 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.61 -40.17 64.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.499 1.12 . . . . 0.0 113.786 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.29 75.66 52.08 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.579 1.152 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.54 136.76 75.48 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.786 2.99 . . . . 0.0 112.67 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.22 129.79 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.931 1.293 . . . . 0.0 109.164 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 125.261 1.424 . . . . 0.0 113.301 -176.636 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.57 135.46 51.54 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 129.393 3.077 . . . . 0.0 106.972 171.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -141.16 168.67 19.22 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.56 -142.17 40.85 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 127.251 2.358 . . . . 0.0 115.814 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.57 -33.16 59.78 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 117.994 0.897 . . . . 0.0 113.084 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -55.5 -33.17 63.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.98 0.912 . . . . 0.0 112.0 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.18 -57.27 13.32 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.56 -46.43 80.72 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.49 1.116 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.2 -48.61 73.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.201 1.0 . . . . 0.0 110.993 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.11 83.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.01 1.324 . . . . 0.0 111.584 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.43 -45.15 92.37 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 111.967 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.5 -23.27 65.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.48 -17.74 47.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.69 118.05 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.355 1.062 . . . . 0.0 113.026 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.601 0.239 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.13 125.73 91.84 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.6 1.16 . . . . 0.0 113.012 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.0 -49.01 18.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.083 3.189 . . . . 0.0 114.948 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.36 -45.47 93.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.816 0.846 . . . . 0.0 111.487 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.28 -38.82 66.29 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.029 0.831 . . . . 0.0 111.618 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -57.91 -47.61 82.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.373 0.988 . . . . 0.0 110.812 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -56.06 -48.08 76.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.881 1.272 . . . . 0.0 111.355 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.52 -42.28 96.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.094 1.358 . . . . 0.0 111.594 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.31 -52.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.803 1.241 . . . . 0.0 109.324 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -48.35 -49.5 34.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.814 1.645 . . . . 0.0 111.133 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -55.12 -60.87 2.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.445 1.498 . . . . 0.0 110.694 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -53.81 -40.36 66.3 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.416 1.007 . . . . 0.0 112.315 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.84 -58.49 7.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.881 1.672 . . . . 0.0 109.871 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.65 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.716 1.206 . . . . 0.0 112.054 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.48 -48.41 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.28 0.946 . . . . 0.0 112.085 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.36 -43.3 92.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.421 1.489 . . . . 0.0 111.969 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -63.05 -49.82 73.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.207 1.003 . . . . 0.0 110.483 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -54.11 -50.39 66.99 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.901 0.88 . . . . 0.0 110.178 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.73 7.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.56 1.544 . . . . 0.0 112.744 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.05 -44.73 83.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.58 -0.7 . . . . 0.0 112.76 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -53.72 -52.0 61.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.162 0.985 . . . . 0.0 110.703 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 128.459 2.703 . . . . 0.0 110.548 177.047 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.3 m80 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.84 -54.54 32.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.583 1.553 . . . . 0.0 110.794 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.248 -0.908 . . . . 0.0 112.796 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -60.7 -50.62 72.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.697 0.681 . . . . 0.0 109.192 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mmt -59.77 -39.29 84.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.335 -0.841 . . . . 0.0 112.096 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -60.4 -45.16 94.57 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.67 1.577 . . . . 0.0 111.494 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -59.19 -47.73 84.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.539 0.736 . . . . 0.0 110.212 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.86 -48.51 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.459 1.503 . . . . 0.0 110.913 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.19 -50.16 67.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.072 2.549 . . . . 0.0 111.853 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -57.57 -42.09 82.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.465 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.61 -51.72 46.87 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.788 0.835 . . . . 0.0 111.124 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.8 mtp -42.91 -49.48 5.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.579 2.352 . . . . 0.0 114.658 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -59.87 -46.37 89.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.904 0.881 . . . . 0.0 112.588 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -74.25 -45.94 44.71 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.981 1.712 . . . . 0.0 113.293 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.444 ' HB3' HH22 ' A' ' 68' ' ' ARG . 43.3 t -60.99 133.38 56.04 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.384 1.874 . . . . 0.0 112.895 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -113.9 -8.4 13.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.803 1.641 . . . . 0.0 113.565 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.06 92.36 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.099 1.36 . . . . 0.0 112.941 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.63 -99.83 0.1 OUTLIER Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.766 1.65 . . . . 0.0 113.866 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -56.35 -43.02 78.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.636 1.175 . . . . 0.0 111.565 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.02 -18.67 60.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.884 . . . . 0.0 115.475 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.85 126.7 29.33 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.563 1.074 . . . . 0.0 110.777 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -30.35 71.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.209 1.403 . . . . 0.0 113.84 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.38 117.62 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.897 1.279 . . . . 0.0 110.637 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -54.07 17.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.674 1.59 . . . . 0.0 112.838 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -58.94 -46.15 88.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.282 1.433 . . . . 0.0 112.502 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.39 -48.31 81.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.926 1.29 . . . . 0.0 111.433 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.01 -57.03 14.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.291 1.036 . . . . 0.0 111.406 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.4 p -62.38 -50.74 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.432 1.893 . . . . 0.0 115.195 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.0 p -45.64 -40.45 9.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.896 2.078 . . . . 0.0 115.459 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.444 HH22 ' HB3' ' A' ' 53' ' ' CYS . 34.5 mtt180 -61.6 -33.7 74.36 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.865 -1.147 . . . . 0.0 112.809 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -49.7 36.66 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.426 1.012 . . . . 0.0 111.995 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 pt -52.41 -47.07 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.063 0.847 . . . . 0.0 112.165 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.6 -36.93 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.146 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -54.53 -53.46 54.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.974 0.807 . . . . 0.0 110.089 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.96 -59.99 4.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.681 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -63.52 -46.28 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.61 -0.681 . . . . 0.0 112.374 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -72.14 -40.36 68.11 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.1 t -60.78 130.08 44.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.1 1.76 . . . . 0.0 113.71 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.9 p -134.15 18.87 3.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.413 2.285 . . . . 0.0 111.734 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -60.93 146.72 45.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.235 2.214 . . . . 0.0 112.599 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -53.47 -51.26 63.3 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.165 1.386 . . . . 0.0 111.113 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -145.83 118.37 8.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.493 1.517 . . . . 0.0 111.41 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.41 142.5 38.93 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 128.339 2.656 . . . . 0.0 105.697 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.22 -13.47 16.23 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 117.484 -173.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.48 -49.52 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.889 1.222 . . . . 0.0 111.038 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.8 m -53.52 -51.35 63.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.714 2.006 . . . . 0.0 113.05 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.88 -59.95 10.96 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.095 1.358 . . . . 0.0 112.96 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.05 -33.41 98.61 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.976 1.784 . . . . 0.0 113.246 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.52 -47.25 76.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.358 -0.839 . . . . 0.0 111.305 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.258 1.423 . . . . 0.0 111.131 176.88 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 112.358 -0.297 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 mt -90.42 137.98 27.19 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.493 1.117 . . . . 0.0 111.217 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -83.27 177.77 6.28 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.679 2.92 . . . . 0.0 113.298 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -114.03 60.46 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.161 1.384 . . . . 0.0 108.733 172.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.3 mt -68.81 158.08 35.13 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.536 1.135 . . . . 0.0 110.379 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.8 p -132.87 167.77 19.6 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.685 1.194 . . . . 0.0 111.057 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.1 p -54.76 -51.2 66.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.4 1.08 . . . . 0.0 110.429 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -51.67 -56.74 11.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.611 1.564 . . . . 0.0 111.844 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -52.88 -51.15 62.19 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.811 0.844 . . . . 0.0 111.975 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.31 -49.75 76.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.456 1.102 . . . . 0.0 112.284 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.6 -46.16 81.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.419 1.088 . . . . 0.0 111.694 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.95 -50.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.207 1.803 . . . . 0.0 112.23 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -71.61 -44.11 65.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.907 1.283 . . . . 0.0 114.19 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -132.18 75.87 74.01 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.843 1.257 . . . . 0.0 111.969 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.22 138.97 72.72 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.89 3.06 . . . . 0.0 112.777 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.1 mt -78.46 125.53 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.041 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.453 0.644 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 124.7 51.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.105 2.562 . . . . 0.0 106.729 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -146.3 162.07 38.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.433 1.093 . . . . 0.0 113.875 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.09 -146.26 48.86 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.987 1.756 . . . . 0.0 114.514 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.72 -35.99 56.71 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.104 0.962 . . . . 0.0 113.409 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.14 -35.87 49.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.859 1.264 . . . . 0.0 112.122 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.69 -62.48 1.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.306 1.042 . . . . 0.0 108.805 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.41 -45.35 80.69 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.694 1.198 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -52.79 -50.26 63.95 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.394 1.078 . . . . 0.0 111.101 175.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.1 -49.53 74.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.568 1.147 . . . . 0.0 111.968 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.67 -44.37 85.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.381 0.991 . . . . 0.0 112.611 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.6 -33.58 72.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.561 . . . . 0.0 114.708 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.85 -16.0 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -60.73 -36.92 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.35 1.46 . . . . 0.0 111.804 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.197 1.399 . . . . 0.0 114.421 -175.867 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.89 134.91 12.44 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.857 1.263 . . . . 0.0 111.797 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.18 -49.15 14.76 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.851 3.034 . . . . 0.0 114.513 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.27 -40.7 98.12 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.236 -0.915 . . . . 0.0 112.224 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.67 -38.75 82.32 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 0.772 . . . . 0.0 110.367 173.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -62.11 -46.3 89.66 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.637 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -53.69 -48.35 69.59 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 120.014 1.279 . . . . 0.0 111.063 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.83 -51.52 69.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.104 1.362 . . . . 0.0 111.122 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -54.73 -51.27 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.909 1.284 . . . . 0.0 110.101 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -52.05 -51.96 54.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.587 . . . . 0.0 111.555 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -53.24 -54.62 33.47 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 110.756 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.94 -39.04 87.97 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.002 0.921 . . . . 0.0 112.897 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.48 -54.31 45.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.799 1.64 . . . . 0.0 109.017 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.17 -53.91 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.636 1.174 . . . . 0.0 111.248 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -56.22 -46.22 79.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.64 -47.96 83.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.291 1.036 . . . . 0.0 112.498 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.81 -52.11 66.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.124 0.97 . . . . 0.0 110.809 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -54.6 -54.29 43.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.079 0.952 . . . . 0.0 110.613 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.0 -57.37 2.02 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.916 2.087 . . . . 0.0 114.524 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -69.85 -40.96 75.48 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.68 1.127 . . . . 0.0 113.201 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.76 -47.51 76.87 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.351 0.978 . . . . 0.0 110.263 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.553 1.095 0 C-N-CA 128.456 2.702 . . . . 0.0 111.357 174.223 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.8 m170 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.16 -49.35 66.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.659 1.584 . . . . 0.0 111.201 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.76 -49.77 61.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.733 1.613 . . . . 0.0 110.826 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -59.06 -52.72 64.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.456 1.102 . . . . 0.0 110.987 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -38.38 75.26 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.422 1.01 . . . . 0.0 112.039 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -63.12 -40.77 98.57 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.327 1.421 . . . . 0.0 111.706 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.11 -47.44 82.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.879 0.871 . . . . 0.0 110.227 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.17 -50.11 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.988 1.715 . . . . 0.0 110.146 175.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.29 -56.92 12.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.797 2.039 . . . . 0.0 110.829 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -51.6 -45.46 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.891 1.276 . . . . 0.0 111.897 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.89 -54.45 38.53 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.074 0.55 . . . . 0.0 111.329 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.262 14.4 ptt? -59.22 -25.05 63.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 p -70.88 -39.45 72.84 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.416 1.462 . . . . 0.0 111.207 174.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -73.3 -55.96 5.71 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.583 1.553 . . . . 0.0 111.288 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.52 146.57 51.38 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.253 1.421 . . . . 0.0 110.65 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -130.2 -2.33 4.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.322 1.449 . . . . 0.0 113.492 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.32 -63.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.343 1.057 . . . . 0.0 111.774 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.38 -72.88 0.45 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.203 1.382 . . . . 0.0 113.633 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -59.13 -53.4 58.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.208 1.803 . . . . 0.0 110.691 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.35 -19.95 41.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.538 1.535 . . . . 0.0 114.355 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -61.21 122.88 16.16 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.047 0.839 . . . . 0.0 110.187 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.19 -24.41 65.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.785 1.234 . . . . 0.0 113.269 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.78 115.19 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.11 1.364 . . . . 0.0 110.042 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.07 -51.89 22.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.014 1.726 . . . . 0.0 112.324 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -60.1 -44.56 94.73 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.335 1.454 . . . . 0.0 113.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.4 t -55.84 -55.85 27.6 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.262 1.392 . . . . 0.0 110.269 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.34 -46.2 65.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.101 1.36 . . . . 0.0 112.553 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -69.53 -58.86 3.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.818 1.647 . . . . 0.0 114.106 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 p -49.47 -49.02 47.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.023 2.129 . . . . 0.0 113.29 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -51.53 -51.82 52.16 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.439 -0.788 . . . . 0.0 110.715 174.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -55.18 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.299 1.839 . . . . 0.0 112.597 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -55.79 -43.63 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.007 0.822 . . . . 0.0 112.842 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.5 mm -69.49 -40.59 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.794 0.725 . . . . 0.0 111.549 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -54.0 -50.12 67.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.334 1.053 . . . . 0.0 109.859 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -58.34 -60.79 3.22 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.753 0.821 . . . . 0.0 109.806 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -50.95 -44.48 60.45 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -65.36 -50.5 65.32 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.938 0.79 . . . . 0.0 112.167 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.23 -45.13 89.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.382 1.073 . . . . 0.0 113.226 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.57 125.22 23.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.28 1.432 . . . . 0.0 112.607 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 p -133.3 20.85 4.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.484 2.314 . . . . 0.0 110.68 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 12.3 ttm-85 -65.04 136.79 57.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.654 2.382 . . . . 0.0 110.777 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -70.84 -9.46 57.63 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -148.33 27.81 0.92 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.405 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.7 t -64.42 136.29 96.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 CA-C-N 120.165 1.348 . . . . 0.0 107.771 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -60.7 -7.02 6.61 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.042 3.161 . . . . 0.0 116.571 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.29 -52.67 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.497 1.044 . . . . 0.0 110.685 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.54 -47.19 73.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.985 1.714 . . . . 0.0 112.393 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.23 -62.29 5.52 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -58.55 -38.43 89.79 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 121.947 1.731 . . . . 0.0 113.611 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.95 -40.27 92.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.125 -0.985 . . . . 0.0 112.002 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 124.523 1.129 . . . . 0.0 109.266 173.716 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -98.65 115.86 65.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.039 0.936 . . . . 0.0 108.593 173.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -80.12 173.77 12.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.189 2.593 . . . . 0.0 113.055 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.02 66.01 0.67 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.042 1.337 . . . . 0.0 108.658 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.9 169.75 12.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.377 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 62.4 p -139.47 169.01 18.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.147 0.979 . . . . 0.0 110.577 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 6.4 p -53.59 -52.79 58.65 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 108.743 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -50.55 -57.95 6.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.758 1.623 . . . . 0.0 112.325 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.93 -50.73 65.79 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.052 0.842 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.52 -48.53 80.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.214 1.006 . . . . 0.0 111.895 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.6 -47.57 76.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.598 1.559 . . . . 0.0 111.547 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.2 -50.81 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.306 1.843 . . . . 0.0 112.193 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -73.74 -40.69 63.34 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.0 76.6 39.22 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.983 1.313 . . . . 0.0 111.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.31 135.92 72.68 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.787 2.991 . . . . 0.0 113.29 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.0 mt -64.27 131.01 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.621 1.169 . . . . 0.0 108.998 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.348 0.594 . . . . 0.0 111.291 178.593 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 122.075 0.94 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 131.58 48.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.495 2.718 . . . . 0.0 107.476 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.5 161.33 41.86 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.29 -146.12 48.45 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.849 1.69 . . . . 0.0 114.489 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.53 -31.12 63.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.525 -0.985 . . . . 0.0 113.392 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.06 -34.89 58.58 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.221 1.008 . . . . 0.0 111.839 174.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 32.4 mt -57.02 -61.0 2.76 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -55.2 -43.32 74.32 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.346 1.458 . . . . 0.0 112.215 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -57.54 -48.43 79.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.603 1.161 . . . . 0.0 110.457 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.19 95.72 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.527 1.131 . . . . 0.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.19 -40.47 94.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.771 1.228 . . . . 0.0 113.226 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.6 -40.01 78.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.688 1.195 . . . . 0.0 113.713 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -52.72 -17.26 1.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.61 -37.57 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.575 1.55 . . . . 0.0 111.843 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.643 0.259 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.84 138.71 16.24 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.005 1.722 . . . . 0.0 111.541 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -62.89 -29.38 76.2 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.295 2.663 . . . . 0.0 114.396 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.8 -41.5 74.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.936 1.244 . . . . 0.0 110.534 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.13 -34.11 65.79 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.0 0.818 . . . . 0.0 111.66 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -57.1 -46.44 82.58 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.524 1.056 . . . . 0.0 110.765 173.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -55.82 -51.31 67.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.932 1.293 . . . . 0.0 110.839 174.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -54.59 -52.45 62.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.71 1.604 . . . . 0.0 111.052 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.49 -53.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.122 1.769 . . . . 0.0 110.059 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -47.56 -54.23 12.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.871 1.668 . . . . 0.0 111.716 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.8 -53.58 55.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.776 -1.107 . . . . 0.0 111.647 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.62 -43.26 65.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.808 1.64 . . . . 0.0 112.869 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.87 -59.33 4.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.369 1.867 . . . . 0.0 110.146 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.44 -43.64 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.776 1.23 . . . . 0.0 112.16 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.39 -51.0 71.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.372 0.987 . . . . 0.0 111.411 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.47 -43.19 83.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.831 1.652 . . . . 0.0 112.231 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.94 -51.7 67.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.437 1.095 . . . . 0.0 110.52 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -55.91 -47.39 77.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.318 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.79 -56.16 4.01 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.565 1.546 . . . . 0.0 113.068 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -68.95 -38.55 79.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.155 -0.966 . . . . 0.0 112.764 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -57.17 -43.2 82.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.743 1.156 . . . . 0.0 111.081 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 128.552 2.741 . . . . 0.0 109.982 173.755 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 m170 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 42.6 t -42.81 -57.06 2.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.488 1.915 . . . . 0.0 113.694 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -60.54 -29.73 69.32 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.6 m -62.97 -51.1 68.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.324 0.966 . . . . 0.0 108.516 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -38.17 76.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.3 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 43.9 mttp -61.04 -44.03 98.01 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.535 1.516 . . . . 0.0 111.848 174.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -60.6 -48.36 82.12 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 110.106 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.45 -54.39 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.832 1.653 . . . . 0.0 109.858 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.38 -54.05 19.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.523 2.729 . . . . 0.0 112.2 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -54.71 -45.15 73.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.459 1.103 . . . . 0.0 111.974 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.79 -47.96 70.49 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.629 -0.669 . . . . 0.0 110.544 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -48.02 5.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.123 2.569 . . . . 0.0 115.105 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.5 p -63.87 -51.04 66.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.817 1.247 . . . . 0.0 112.408 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -66.84 -44.82 80.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.952 1.701 . . . . 0.0 112.55 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.67 132.31 50.69 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.994 1.718 . . . . 0.0 111.553 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -118.53 -2.9 10.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.124 1.77 . . . . 0.0 112.762 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.89 82.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.995 1.318 . . . . 0.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.67 -99.59 0.08 OUTLIER Glycine 0 N--CA 1.471 1.025 0 C-N-CA 125.837 1.684 . . . . 0.0 113.166 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -55.14 -42.39 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.983 1.713 . . . . 0.0 111.412 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 -18.25 56.56 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.992 1.717 . . . . 0.0 115.543 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.91 122.26 17.79 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.009 1.277 . . . . 0.0 110.1 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -67.05 -26.35 66.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.673 1.189 . . . . 0.0 113.344 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.6 118.14 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.151 1.381 . . . . 0.0 110.254 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.27 2.24 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.603 1.561 . . . . 0.0 112.376 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -51.41 -44.84 62.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.924 1.69 . . . . 0.0 113.074 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.85 -51.34 70.42 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.557 1.543 . . . . 0.0 111.398 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.55 73.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.876 1.271 . . . . 0.0 112.386 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.5 p -67.45 -49.28 64.34 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -52.25 -38.97 59.69 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -61.53 -47.43 85.6 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.742 -1.224 . . . . 0.0 110.676 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -54.7 34.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.475 1.91 . . . . 0.0 112.45 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.19 -42.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.0 mm -71.47 -39.78 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.64 -0.663 . . . . 0.0 111.246 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -53.53 -47.74 69.7 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.056 0.942 . . . . 0.0 109.809 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.17 -63.17 1.36 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.249 1.02 . . . . 0.0 109.726 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.04 -46.17 52.83 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.21 -51.13 70.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.584 0.629 . . . . 0.0 112.425 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -70.35 -42.98 71.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.541 1.136 . . . . 0.0 114.062 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.47 130.79 44.11 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.543 1.537 . . . . 0.0 112.792 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -133.07 9.94 4.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.636 1.974 . . . . 0.0 111.766 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.77 119.61 8.51 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.463 1.505 . . . . 0.0 108.2 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -2.42 3.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.21 23.8 1.47 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.698 1.599 . . . . 0.0 114.814 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.3 135.11 93.52 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 120.127 1.33 . . . . 0.0 108.064 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -59.39 -11.83 14.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.223 3.282 . . . . 0.0 116.616 -175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.3 -51.96 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.413 1.006 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.01 -49.39 71.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.023 1.729 . . . . 0.0 113.134 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.86 -61.44 5.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-O 117.445 -1.264 . . . . 0.0 112.374 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.18 -38.76 74.27 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.965 1.777 . . . . 0.0 112.966 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.49 -45.91 90.34 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.169 0.895 . . . . 0.0 111.724 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 N--CA 1.472 0.645 0 C-N-CA 124.703 1.201 . . . . 0.0 110.578 176.188 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 115' ' ' LEU . 14.7 mt -135.57 121.07 13.78 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.959 1.704 . . . . 0.0 107.295 170.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.53 -178.39 4.41 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.335 2.024 . . . . 0.0 111.765 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.17 57.61 1.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.479 1.512 . . . . 0.0 108.153 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.26 151.46 46.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.582 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.5 p -122.83 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.678 1.191 . . . . 0.0 110.749 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.7 p -54.11 -53.03 58.79 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 108.874 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.46 -57.44 8.99 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.833 1.653 . . . . 0.0 112.615 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -52.92 -51.92 59.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.012 0.824 . . . . 0.0 111.997 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 90.6 m -62.27 -47.36 84.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.128 0.971 . . . . 0.0 112.16 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.06 -45.93 75.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.06 1.344 . . . . 0.0 111.785 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -65.06 -51.48 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.387 1.875 . . . . 0.0 112.512 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.72 -33.57 46.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 71.9 40.46 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.474 1.51 . . . . 0.0 111.811 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.68 136.3 70.5 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.933 3.088 . . . . 0.0 113.763 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.24 129.92 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.791 1.237 . . . . 0.0 109.16 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 123.872 0.869 . . . . 0.0 111.3 179.273 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.79 127.32 31.62 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.68 1.992 . . . . 0.0 107.896 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -135.46 160.36 38.7 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 57.35 -143.37 41.52 Favored Glycine 0 N--CA 1.47 0.904 0 C-N-CA 127.061 2.267 . . . . 0.0 115.832 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.54 -31.01 61.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.294 1.047 . . . . 0.0 113.821 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -54.8 -32.9 60.8 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.519 0.728 . . . . 0.0 111.905 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.81 -62.58 1.64 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.12 -47.43 71.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.572 1.149 . . . . 0.0 111.409 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.82 -49.54 68.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.868 1.267 . . . . 0.0 111.227 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.36 89.77 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.546 1.138 . . . . 0.0 111.524 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.92 -38.42 90.9 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.388 1.075 . . . . 0.0 113.222 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.75 -32.52 72.78 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.17 1.388 . . . . 0.0 114.528 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.41 -20.1 58.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.26 117.71 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.714 1.205 . . . . 0.0 110.658 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.754 1.222 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 140.71 15.68 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.883 1.273 . . . . 0.0 112.017 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -57.11 -38.6 95.16 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.253 2.636 . . . . 0.0 113.793 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.07 -44.82 91.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.53 1.059 . . . . 0.0 110.647 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.32 -34.86 71.07 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.519 -0.738 . . . . 0.0 111.07 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -64.72 -46.34 82.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.446 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -52.56 -50.98 61.86 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.855 1.207 . . . . 0.0 111.082 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.12 -51.03 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.356 1.463 . . . . 0.0 111.427 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.6 -52.9 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.338 1.455 . . . . 0.0 110.163 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -49.25 -54.38 17.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.769 1.627 . . . . 0.0 111.298 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -53.48 -60.19 3.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.282 1.433 . . . . 0.0 110.576 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -55.08 -38.93 68.71 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.18 -53.78 51.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.298 1.439 . . . . 0.0 109.492 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.33 -46.44 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.719 1.208 . . . . 0.0 111.269 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.78 -49.27 68.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.926 0.89 . . . . 0.0 111.627 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.0 tp -62.61 -45.19 94.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.147 1.379 . . . . 0.0 112.763 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.33 -47.62 83.15 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.928 -0.483 . . . . 0.0 110.298 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -57.52 -49.18 77.17 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.306 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.92 -50.87 10.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.016 1.726 . . . . 0.0 113.793 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -62.84 -48.41 79.17 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.402 -0.811 . . . . 0.0 111.362 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -42.64 75.85 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 119.178 0.899 . . . . 0.0 112.296 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 127.266 2.226 . . . . 0.0 109.862 177.47 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.44 -41.89 86.13 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.229 0.922 . . . . 0.0 108.932 170.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -50.0 -49.6 50.1 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.122 1.369 . . . . 0.0 110.771 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 m -55.63 -57.44 11.97 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.385 1.474 . . . . 0.0 109.762 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mmt -57.85 -43.5 85.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -59.58 -45.1 92.86 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.753 1.615 . . . . 0.0 112.029 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.17 -49.88 75.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.632 0.773 . . . . 0.0 110.461 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.47 -49.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.188 1.795 . . . . 0.0 111.242 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.95 -58.4 6.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.201 2.601 . . . . 0.0 110.361 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -50.9 -48.82 60.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.421 1.088 . . . . 0.0 111.559 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.23 -54.12 48.22 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.479 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -56.31 -29.62 61.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.25 92.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.884 1.22 . . . . 0.0 112.146 174.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -78.03 -52.53 8.64 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.234 1.414 . . . . 0.0 111.442 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.31 135.41 56.48 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.024 2.13 . . . . 0.0 111.109 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -114.36 -0.68 13.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.58 1.152 . . . . 0.0 112.659 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.06 -76.01 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 111.768 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 -66.34 1.94 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.928 1.252 . . . . 0.0 112.297 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.63 -49.86 73.74 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.615 1.966 . . . . 0.0 111.548 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.11 -12.15 26.98 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.216 1.807 . . . . 0.0 115.202 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -63.0 132.85 53.41 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.244 0.929 . . . . 0.0 110.62 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.03 -34.23 77.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.241 1.416 . . . . 0.0 113.662 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.57 124.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.029 1.332 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.28 1.79 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.11 1.364 . . . . 0.0 112.694 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -54.63 -35.58 63.61 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.348 1.859 . . . . 0.0 114.844 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.28 -46.33 69.24 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.874 2.07 . . . . 0.0 111.429 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.18 -55.57 17.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.354 1.061 . . . . 0.0 111.261 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -53.91 -56.32 18.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.185 1.794 . . . . 0.0 113.451 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 p -53.22 -39.41 63.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.06 1.744 . . . . 0.0 113.34 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.8 -50.45 68.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.313 0.96 . . . . 0.0 109.539 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -54.62 25.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.117 1.767 . . . . 0.0 113.414 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.32 -45.94 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 118.806 0.73 . . . . 0.0 112.645 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.43 -39.33 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.428 0.691 . . . . 0.0 111.534 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.1 m -54.24 -51.41 64.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.948 1.299 . . . . 0.0 110.05 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -58.72 -60.49 3.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.599 0.76 . . . . 0.0 109.816 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.435 ' CH2' HG22 ' B' ' 148' ' ' VAL . 10.8 t90 -51.39 -45.05 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -45.24 93.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 111.747 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.78 -49.49 25.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.32 125.73 24.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 112.988 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -135.43 24.63 3.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.545 1.938 . . . . 0.0 110.395 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.406 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 18.5 ttm-85 -61.96 142.31 57.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.696 2.398 . . . . 0.0 111.607 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -65.04 -19.4 65.97 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.85 31.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.406 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.4 t -65.33 136.53 96.41 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 120.406 1.457 . . . . 0.0 107.317 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -59.99 -11.73 16.43 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 124.026 3.151 . . . . 0.0 116.741 -175.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.3 -49.54 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.497 1.044 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 m -56.17 -48.21 76.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.801 1.64 . . . . 0.0 112.761 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.95 -61.94 4.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.061 -1.447 . . . . 0.0 112.838 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -58.04 -35.62 98.61 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.497 2.131 . . . . 0.0 113.748 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.45 -48.48 64.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.006 0.923 . . . . 0.0 111.793 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.6 tttm . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 126.122 1.769 . . . . 0.0 111.473 177.92 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.908 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' B' ' 115' ' ' LEU . 0.2 OUTLIER -139.54 118.12 8.84 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.716 1.606 . . . . 0.0 108.858 178.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -81.43 -173.88 1.98 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.989 3.126 . . . . 0.0 112.671 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.32 66.21 1.0 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.911 1.684 . . . . 0.0 108.315 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.24 168.55 15.56 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.092 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 70.0 p -136.98 174.2 10.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.432 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.9 p -52.3 -55.5 21.01 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.103 1.361 . . . . 0.0 109.0 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -50.23 -61.54 2.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.43 1.492 . . . . 0.0 112.359 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.74 -50.82 65.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.9 0.773 . . . . 0.0 112.869 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.89 -49.9 73.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.569 0.748 . . . . 0.0 112.168 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.61 -42.74 83.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.778 1.231 . . . . 0.0 111.602 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.94 -51.26 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.988 1.715 . . . . 0.0 111.871 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -71.9 -39.18 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.36 74.59 60.61 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.392 1.077 . . . . 0.0 112.215 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.14 140.11 86.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.911 3.074 . . . . 0.0 113.774 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.6 mt -69.45 128.42 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.791 1.236 . . . . 0.0 108.241 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -175.334 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 135.98 57.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 130.346 3.458 . . . . 0.0 108.866 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -125.21 159.24 32.06 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.867 1.802 . . . . 0.0 115.867 -173.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 38.54 -128.94 1.82 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 128.379 2.895 . . . . 0.0 117.642 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.03 -38.6 57.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.977 1.311 . . . . 0.0 113.747 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -56.54 -31.7 64.4 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.931 0.893 . . . . 0.0 112.138 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.75 -60.96 2.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.149 0.886 . . . . 0.0 108.899 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.01 -40.8 81.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.641 0.776 . . . . 0.0 111.708 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -57.36 -48.83 78.0 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.873 0.869 . . . . 0.0 110.852 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.98 86.92 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.46 1.104 . . . . 0.0 111.046 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.1 -38.76 92.46 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.097 -1.002 . . . . 0.0 113.037 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.56 -31.68 73.01 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.168 1.387 . . . . 0.0 113.717 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.87 -23.36 43.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.685 1.194 . . . . 0.0 114.091 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' VAL . . . . . 0.435 HG22 ' CH2' ' A' ' 74' ' ' TRP . 33.2 t -62.35 -48.75 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.366 1.867 . . . . 0.0 112.199 179.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.3 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.935 2.494 . . . . 0.0 113.493 -172.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -140.3 133.28 14.88 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.351 1.46 . . . . 0.0 111.827 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.68 -45.67 26.97 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.169 3.246 . . . . 0.0 115.086 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.12 -43.64 98.57 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 111.47 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -62.85 -30.69 71.69 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.374 -0.828 . . . . 0.0 111.847 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -65.21 -40.43 94.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.286 0.948 . . . . 0.0 110.287 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -59.08 -44.05 91.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.189 0.996 . . . . 0.0 110.809 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.27 -52.05 67.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -55.08 -51.99 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.744 1.217 . . . . 0.0 110.118 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.95 -53.8 14.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.042 1.737 . . . . 0.0 111.7 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -53.72 -59.01 5.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.49 1.116 . . . . 0.0 110.484 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.03 -38.71 68.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.17 -58.97 5.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.096 1.758 . . . . 0.0 109.155 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.705 1.202 . . . . 0.0 111.942 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.94 -48.24 80.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.617 1.099 . . . . 0.0 112.153 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.3 -45.5 93.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.713 1.205 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.69 -48.84 79.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.941 0.497 . . . . 0.0 110.602 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -53.42 -52.33 59.73 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.351 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.02 -47.63 3.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.546 1.538 . . . . 0.0 114.686 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -78.63 -46.65 18.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.821 1.248 . . . . 0.0 112.31 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -50.96 -51.2 54.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.916 1.286 . . . . 0.0 110.731 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 129.469 3.108 . . . . 0.0 111.221 177.057 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 t -50.49 -48.22 56.87 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.122 0.874 . . . . 0.0 110.332 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -50.56 -41.72 54.51 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 174.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -58.73 -56.2 25.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 108.522 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -36.16 73.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.077 . . . . 0.0 112.957 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -63.52 -46.56 85.45 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.25 1.841 . . . . 0.0 112.046 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -57.68 -47.47 82.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.485 0.714 . . . . 0.0 109.865 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.52 -58.5 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.152 1.781 . . . . 0.0 110.056 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -44.21 -56.2 4.28 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.945 2.898 . . . . 0.0 112.13 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -51.55 -57.89 7.83 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.281 1.032 . . . . 0.0 111.163 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -57.11 -46.72 82.39 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -45.93 19.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.999 2.12 . . . . 0.0 112.954 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -43.7 96.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.734 0.813 . . . . 0.0 112.91 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -71.99 -41.7 67.33 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.377 1.071 . . . . 0.0 112.308 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.406 ' CB ' HH22 ' A' ' 68' ' ' ARG . 18.8 t -60.52 146.9 43.25 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.143 2.177 . . . . 0.0 111.991 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -131.92 -1.14 3.76 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.695 1.598 . . . . 0.0 112.982 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.46 -69.8 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.288 1.035 . . . . 0.0 111.697 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.0 -73.14 1.29 Allowed Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.875 1.226 . . . . 0.0 112.743 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -56.76 -44.93 82.24 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.993 1.717 . . . . 0.0 111.748 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.22 -5.54 24.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.5 t -66.6 124.94 24.21 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.223 1.374 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.73 -30.7 71.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.828 1.251 . . . . 0.0 113.504 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.33 113.99 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.832 1.253 . . . . 0.0 110.042 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.03 -56.17 6.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.444 1.897 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -61.57 -44.69 96.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.094 1.357 . . . . 0.0 113.52 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.26 -50.69 70.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.307 1.443 . . . . 0.0 110.835 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.1 13.55 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.01 . . . . 0.0 110.234 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -57.54 -51.77 68.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.822 2.449 . . . . 0.0 115.924 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 p -53.38 -30.27 38.93 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.208 1.803 . . . . 0.0 114.867 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.406 HH22 ' CB ' ' A' ' 53' ' ' CYS . 80.8 mtt85 -59.71 -54.4 46.84 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.088 -1.008 . . . . 0.0 111.812 173.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.0 -48.64 70.2 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.209 1.004 . . . . 0.0 113.362 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 pt -53.71 -44.7 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.093 0.86 . . . . 0.0 112.203 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.2 mm -73.5 -42.05 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.56 0.744 . . . . 0.0 111.494 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 m -52.67 -52.44 55.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.782 1.233 . . . . 0.0 110.648 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -58.96 -60.9 3.13 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.299 1.04 . . . . 0.0 109.431 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -48.68 -46.64 40.58 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -64.73 -47.84 76.79 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.661 -0.649 . . . . 0.0 112.492 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -67.19 -40.88 86.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.4 t -57.36 132.97 54.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.077 1.751 . . . . 0.0 113.86 -175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 p -131.63 4.76 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 127.286 2.234 . . . . 0.0 111.963 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.84 120.43 9.55 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.458 1.503 . . . . 0.0 108.98 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -2.84 6.95 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.14 23.86 1.66 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.539 1.535 . . . . 0.0 114.696 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.94 136.52 95.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 119.682 1.128 . . . . 0.0 108.301 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -56.77 -21.53 40.34 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.78 2.987 . . . . 0.0 116.491 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.63 -50.2 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.493 1.042 . . . . 0.0 111.376 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -55.91 -48.83 74.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.095 1.758 . . . . 0.0 112.8 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.08 -62.94 2.77 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.321 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -58.15 -41.28 68.98 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.075 1.85 . . . . 0.0 113.305 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 -44.26 91.66 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.405 -0.809 . . . . 0.0 111.951 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 124.846 1.258 . . . . 0.0 110.678 176.075 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.903 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 115' ' ' LEU . 0.2 OUTLIER -128.41 112.96 19.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.501 1.52 . . . . 0.0 107.831 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.38 173.39 14.36 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.03 2.487 . . . . 0.0 114.049 -173.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -119.9 69.07 0.84 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.101 1.76 . . . . 0.0 107.635 172.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.22 173.01 6.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.329 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -138.73 168.6 19.44 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.265 -0.897 . . . . 0.0 110.353 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.1 p -53.95 -53.14 56.86 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.803 0.841 . . . . 0.0 109.384 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.75 -56.3 14.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.383 1.473 . . . . 0.0 112.024 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.69 -52.95 44.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.474 0.71 . . . . 0.0 111.859 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.4 m -61.74 -48.87 78.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.719 0.808 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.12 -37.37 69.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.937 1.295 . . . . 0.0 112.436 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.91 -53.0 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.841 2.057 . . . . 0.0 112.456 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -75.82 -32.79 59.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.092 1.357 . . . . 0.0 114.185 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.22 72.63 59.16 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.204 1.402 . . . . 0.0 110.85 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.53 143.11 95.34 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.314 2.676 . . . . 0.0 111.862 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.4 mt -65.23 145.21 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 124.169 0.987 . . . . 0.0 108.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 123.831 0.852 . . . . 0.0 112.374 -178.924 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.958 0.885 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 118.19 7.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.868 2.467 . . . . 0.0 107.759 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -150.69 166.73 29.48 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.116 0.966 . . . . 0.0 113.192 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.62 -148.54 33.87 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.097 1.332 . . . . 0.0 112.934 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.9 -32.51 61.06 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.993 1.397 . . . . 0.0 113.015 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -51.18 -34.52 31.98 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.948 1.299 . . . . 0.0 112.402 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.86 -62.04 2.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.147 0.979 . . . . 0.0 109.298 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.48 -40.71 75.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.22 1.008 . . . . 0.0 111.298 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.2 -47.34 83.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.688 1.195 . . . . 0.0 110.677 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.13 -46.54 83.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.458 1.103 . . . . 0.0 111.68 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.65 -34.28 77.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.619 1.167 . . . . 0.0 112.095 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.64 -42.32 98.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.551 1.541 . . . . 0.0 113.06 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -52.59 -17.95 1.51 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.44 -37.05 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.921 1.688 . . . . 0.0 111.857 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.751 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.492 0.187 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -142.24 136.61 15.0 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.623 1.569 . . . . 0.0 111.673 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -52.96 -54.27 5.37 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.558 2.838 . . . . 0.0 113.559 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -62.35 -40.42 96.35 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.38 -0.825 . . . . 0.0 112.158 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.02 -38.2 72.81 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.03 1.286 . . . . 0.0 110.937 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -62.88 -46.04 89.71 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.337 0.972 . . . . 0.0 110.494 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.61 -47.07 73.86 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.603 1.161 . . . . 0.0 111.468 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.95 -48.15 82.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.58 1.552 . . . . 0.0 111.16 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.66 -49.57 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.164 1.386 . . . . 0.0 110.157 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -51.13 -51.23 55.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.654 1.582 . . . . 0.0 110.945 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -53.91 50.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.034 0.934 . . . . 0.0 110.722 175.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -58.53 -40.83 84.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.57 -55.7 28.88 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.134 1.774 . . . . 0.0 108.826 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.34 -53.64 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.27 1.428 . . . . 0.0 112.57 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.03 -42.2 80.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.952 1.251 . . . . 0.0 111.899 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.17 -47.63 83.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 0.0 111.797 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 mt -58.77 -50.7 72.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.932 0.893 . . . . 0.0 110.097 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -53.5 -51.42 62.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.115 1.366 . . . . 0.0 110.685 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.08 -45.54 8.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.242 1.417 . . . . 0.0 113.909 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -72.23 -49.13 37.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.328 1.051 . . . . 0.0 111.835 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -52.65 -45.2 66.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.968 1.307 . . . . 0.0 111.087 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 128.475 2.71 . . . . 0.0 111.408 177.194 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.3 t -49.12 -46.06 44.44 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.514 1.052 . . . . 0.0 111.38 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -49.62 -47.63 49.56 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.444 1.898 . . . . 0.0 112.472 174.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -56.46 -54.24 48.09 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.671 1.188 . . . . 0.0 109.404 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -39.43 88.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.127 -0.94 . . . . 0.0 112.652 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.27 -47.54 85.54 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.876 1.671 . . . . 0.0 111.346 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -57.04 -47.84 79.97 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.164 0.586 . . . . 0.0 110.251 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.12 -48.56 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.587 1.555 . . . . 0.0 111.169 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.31 -49.71 66.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.795 2.438 . . . . 0.0 111.845 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -59.45 -43.6 93.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.127 . . . . 0.0 111.751 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.66 -52.41 45.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.565 0.746 . . . . 0.0 111.212 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE3' HD22 ' B' ' 141' ' ' LEU . 26.4 mtp -39.97 -52.48 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.341 2.657 . . . . 0.0 114.424 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 p -59.06 -47.05 86.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.052 0.941 . . . . 0.0 112.774 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -72.88 -43.14 62.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.742 1.617 . . . . 0.0 112.946 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' HB3' HH22 ' A' ' 68' ' ' ARG . 45.7 t -60.11 120.79 10.4 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.646 1.978 . . . . 0.0 113.317 -178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -101.16 -10.48 20.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.477 1.511 . . . . 0.0 113.577 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.78 88.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.281 1.432 . . . . 0.0 113.499 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.1 -107.82 1.63 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.749 1.166 . . . . 0.0 112.761 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -57.15 -40.91 78.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.16 62.37 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.07 127.19 30.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.81 1.186 . . . . 0.0 110.79 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.78 -30.49 71.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.259 1.424 . . . . 0.0 113.817 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.54 118.47 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 110.622 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.63 -57.02 6.88 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.943 1.697 . . . . 0.0 113.107 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.79 -43.85 94.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.537 1.535 . . . . 0.0 113.116 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.76 -47.08 83.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.348 1.459 . . . . 0.0 111.901 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -56.07 18.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.497 0.719 . . . . 0.0 110.026 175.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.2 m -54.39 -53.37 54.89 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.472 2.309 . . . . 0.0 115.145 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -45.12 -45.07 11.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.405 2.282 . . . . 0.0 114.438 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.465 HH22 ' HB3' ' A' ' 53' ' ' CYS . 27.6 mtt180 -55.78 -41.01 73.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.765 0.826 . . . . 0.0 111.752 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.97 -51.45 54.98 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.802 1.183 . . . . 0.0 112.451 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -53.58 -44.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.652 1.114 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mm -70.64 -39.15 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -53.94 -53.63 50.07 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.641 0.655 . . . . 0.0 110.078 173.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -54.16 -64.78 0.72 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.254 1.021 . . . . 0.0 111.137 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -50.37 -48.12 55.93 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -66.78 -41.68 87.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -71.71 -41.02 69.09 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.3 t -57.14 129.7 42.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.277 1.831 . . . . 0.0 113.467 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.7 p -127.0 12.48 7.2 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.068 2.147 . . . . 0.0 112.155 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -64.63 139.58 58.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.985 1.714 . . . . 0.0 110.943 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -72.01 -23.21 61.36 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.98 34.99 1.56 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.55 136.96 96.95 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.69 -10.01 12.99 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.381 3.387 . . . . 0.0 117.119 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -126.42 -52.73 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.311 1.045 . . . . 0.0 110.267 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.83 -46.44 71.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.545 1.538 . . . . 0.0 112.328 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.66 -62.56 5.63 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-O 117.283 -1.341 . . . . 0.0 112.307 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -53.24 -41.02 75.52 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.081 1.779 . . . . 0.0 112.67 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.18 -57.92 10.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.756 0.823 . . . . 0.0 112.269 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt . . . . . 0 N--CA 1.479 1.008 0 CA-C-N 119.953 1.252 . . . . 0.0 112.847 -179.603 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.11 141.13 18.8 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.287 1.835 . . . . 0.0 111.081 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -83.65 177.42 6.29 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.709 2.939 . . . . 0.0 113.004 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -120.33 66.22 0.83 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.743 1.617 . . . . 0.0 108.32 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.9 mt -68.28 165.37 18.67 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 66.4 p -137.9 166.65 23.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.494 1.118 . . . . 0.0 110.436 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p -52.22 -50.31 62.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.836 0.855 . . . . 0.0 110.265 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -51.52 -57.71 8.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.651 1.58 . . . . 0.0 111.882 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -52.41 -52.38 54.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.693 0.797 . . . . 0.0 112.119 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.04 -50.15 75.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.304 1.042 . . . . 0.0 112.417 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -49.61 73.22 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.426 1.091 . . . . 0.0 111.749 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.9 t -59.98 -52.39 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.573 1.949 . . . . 0.0 112.492 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -73.48 -37.06 65.87 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.62 75.15 69.24 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.976 0.91 . . . . 0.0 112.484 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -51.62 126.96 21.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.26 3.306 . . . . 0.0 113.416 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 18.8 mt -71.81 129.59 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.31 1.444 . . . . 0.0 110.237 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 . . . . . 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 111.85 178.542 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 114.84 21.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 130.143 3.377 . . . . 0.0 105.239 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -148.32 166.71 27.22 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 -142.28 35.17 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.039 1.304 . . . . 0.0 112.956 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.77 -35.77 61.66 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.143 0.972 . . . . 0.0 112.769 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.31 -38.4 52.76 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.007 1.323 . . . . 0.0 112.389 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.423 HD22 ' HE3' ' A' ' 50' ' ' MET . 27.7 mt -54.88 -63.52 1.13 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.504 1.121 . . . . 0.0 109.228 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.27 -43.23 70.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.679 1.191 . . . . 0.0 111.519 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -56.18 -49.68 73.34 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.302 1.041 . . . . 0.0 110.935 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.77 78.1 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 112.099 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.93 -42.05 88.82 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.556 1.071 . . . . 0.0 111.799 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.92 -27.93 69.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.175 1.39 . . . . 0.0 114.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.31 -13.64 14.0 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.62 -59.62 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.877 1.271 . . . . 0.0 110.048 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.144 0 C-N-CA 128.347 2.659 . . . . 0.0 114.701 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.556 0.217 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.78 137.47 15.16 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.769 1.628 . . . . 0.0 111.024 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.7 -38.46 71.35 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.888 2.392 . . . . 0.0 113.513 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.49 -34.12 73.86 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.725 -1.234 . . . . 0.0 111.423 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.12 -41.53 98.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.885 -1.134 . . . . 0.0 109.499 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.51 -45.99 87.65 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.832 173.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -51.74 -50.38 60.7 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 119.822 1.192 . . . . 0.0 111.109 172.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.68 -47.28 85.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.611 1.165 . . . . 0.0 111.69 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.44 -46.78 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.39 1.476 . . . . 0.0 110.738 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.24 -54.81 22.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.919 1.288 . . . . 0.0 110.931 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.298 4.6 pp0? -63.06 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.262 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -53.1 -47.19 68.77 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.824 1.647 . . . . 0.0 111.399 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.78 -57.86 10.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.118 1.767 . . . . 0.0 109.482 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.53 -48.96 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.306 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.02 -46.96 86.88 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.598 1.09 . . . . 0.0 112.041 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.22 -45.1 92.01 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 110.94 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.95 -47.07 87.32 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.827 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -51.97 -52.01 53.36 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.115 0.87 . . . . 0.0 110.785 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.0 5.75 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.308 1.043 . . . . 0.0 113.134 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -73.22 -41.91 63.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.477 0.711 . . . . 0.0 112.656 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.81 -52.44 56.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.44 1.496 . . . . 0.0 111.028 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.9 t -53.15 -58.07 8.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 129.168 2.987 . . . . 0.0 110.017 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -50.93 -56.51 11.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.485 1.514 . . . . 0.0 111.905 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -53.02 -57.31 10.8 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.768 2.027 . . . . 0.0 111.594 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -54.11 -54.44 39.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.084 1.753 . . . . 0.0 111.388 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -52.94 -51.42 61.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.177 1.391 . . . . 0.0 112.148 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.27 -45.55 92.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.01 0.924 . . . . 0.0 112.223 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.71 -63.17 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.024 1.33 . . . . 0.0 112.463 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -158.03 124.37 4.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.424 1.49 . . . . 0.0 111.49 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.85 162.01 34.74 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.101 0.858 . . . . 0.0 113.801 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -144.16 -67.67 0.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.547 2.339 . . . . 0.0 106.438 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.68 139.31 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -48.23 128.92 14.91 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.22 74.99 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.748 1.219 . . . . 0.0 111.709 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.82 149.65 39.51 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.254 2.221 . . . . 0.0 114.414 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -135.87 -52.15 0.74 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.686 1.994 . . . . 0.0 112.193 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.6 mt -72.02 134.79 83.0 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.998 1.719 . . . . 0.0 111.787 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -63.45 -49.17 4.8 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.644 2.229 . . . . 0.0 112.927 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -61.81 -9.42 6.59 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 128.058 2.543 . . . . 0.0 116.447 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.5 t -47.01 -52.83 13.87 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 112.487 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -52.96 -41.43 64.52 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.675 1.19 . . . . 0.0 113.117 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -59.5 -51.95 67.66 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.55 0.74 . . . . 0.0 109.398 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.72 -36.11 79.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.946 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -60.64 -43.08 97.98 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 120.9 1.682 . . . . 0.0 111.108 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.92 -47.18 87.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.545 0.738 . . . . 0.0 110.086 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.8 -48.24 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 0.0 110.474 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.17 -52.45 51.85 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.44 2.296 . . . . 0.0 111.622 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -55.86 -48.31 75.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.579 1.152 . . . . 0.0 111.454 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.3 -51.82 68.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.811 0.845 . . . . 0.0 111.423 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.9 mtp -46.1 -48.54 17.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.829 1.652 . . . . 0.0 114.256 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.8 -40.83 98.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.982 0.913 . . . . 0.0 113.12 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.52 -50.95 14.12 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.885 1.274 . . . . 0.0 112.449 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.65 142.25 58.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.064 1.746 . . . . 0.0 111.245 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -130.17 0.8 4.67 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.528 1.931 . . . . 0.0 112.687 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -38.22 78.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.289 1.436 . . . . 0.0 113.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.4 -98.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.987 1.755 . . . . 0.0 113.883 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -54.57 -42.81 71.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.463 1.505 . . . . 0.0 111.424 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.6 56.44 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.961 1.704 . . . . 0.0 115.134 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.53 120.18 13.54 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.702 1.137 . . . . 0.0 110.268 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -68.72 -24.9 64.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.768 1.227 . . . . 0.0 113.341 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.8 t -64.31 119.71 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.261 1.424 . . . . 0.0 110.977 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.55 -53.44 14.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.227 1.811 . . . . 0.0 112.092 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -55.1 -54.06 47.94 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 0.0 113.249 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.8 t -55.28 -55.42 31.62 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.155 1.382 . . . . 0.0 111.039 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -45.78 66.14 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.634 1.173 . . . . 0.0 112.681 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.0 m -70.39 -55.91 7.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.574 1.549 . . . . 0.0 113.477 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -52.43 -44.02 65.19 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.046 2.138 . . . . 0.0 114.192 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.37 -46.65 85.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.067 -1.021 . . . . 0.0 110.184 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -55.64 32.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.148 1.779 . . . . 0.0 112.477 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.87 -46.96 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.346 0.975 . . . . 0.0 112.895 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.39 -40.39 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 118.508 0.594 . . . . 0.0 111.037 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.0 m -55.03 -48.11 73.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.648 0.779 . . . . 0.0 110.7 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -58.11 -63.06 1.39 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.782 0.833 . . . . 0.0 109.644 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -50.86 -44.29 59.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -59.51 -51.74 68.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.263 1.425 . . . . 0.0 112.14 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -73.11 -41.66 63.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.28 121.63 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.923 1.689 . . . . 0.0 112.81 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -134.53 23.2 3.7 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.411 2.285 . . . . 0.0 110.36 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -63.65 149.38 46.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 128.669 2.788 . . . . 0.0 111.995 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -48.97 -55.92 10.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.618 1.567 . . . . 0.0 111.133 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -147.71 123.56 10.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.633 1.573 . . . . 0.0 111.036 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.86 142.6 42.73 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 128.009 2.523 . . . . 0.0 105.776 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -61.69 -4.68 4.81 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.987 3.124 . . . . 0.0 116.874 -175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.62 -52.51 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.616 1.098 . . . . 0.0 110.502 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.81 -52.13 51.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.872 2.069 . . . . 0.0 112.772 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.6 -61.88 4.95 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.879 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -58.14 -35.85 98.38 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.266 1.977 . . . . 0.0 113.222 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.54 -49.1 72.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.139 -0.976 . . . . 0.0 111.997 175.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.88 -53.95 51.02 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.594 1.557 . . . . 0.0 111.421 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -117.92 91.5 3.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.98 1.712 . . . . 0.0 109.999 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.1 118.86 8.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.696 0.798 . . . . 0.0 110.671 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.6 m -56.26 -47.0 79.44 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.687 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.31 122.76 26.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.994 1.318 . . . . 0.0 110.233 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -136.7 151.09 48.86 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.97 1.708 . . . . 0.0 111.373 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.018 2.127 . . . . 0.0 111.513 179.606 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 119.701 -0.19 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -146.97 141.15 26.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.66 1.984 . . . . 0.0 110.427 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -55.16 32.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.594 1.158 . . . . 0.0 112.527 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.67 70.36 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.548 0.739 . . . . 0.0 111.885 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.08 2.7 1.39 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.747 2.019 . . . . 0.0 115.941 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.97 118.59 2.7 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.459 1.481 . . . . 0.0 112.378 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 47.7 mt 37.42 58.63 1.27 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.384 2.274 . . . . 0.0 114.042 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.06 -34.2 68.01 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.475 -0.766 . . . . 0.0 111.043 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -41.27 -39.72 2.33 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 127.772 2.606 . . . . 0.0 114.012 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -42.25 -57.08 2.68 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.835 2.054 . . . . 0.0 112.241 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 49.8 m -91.62 -35.74 14.05 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.506 1.922 . . . . 0.0 112.738 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -32.11 61.99 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.995 1.318 . . . . 0.0 113.039 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.44 -34.17 60.91 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.823 1.649 . . . . 0.0 113.157 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.95 89.54 2.39 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.769 1.228 . . . . 0.0 111.091 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.6 m 67.67 -58.6 0.43 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.39 2.676 . . . . 0.0 114.654 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.47 -78.01 0.22 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.045 2.259 . . . . 0.0 109.637 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 93.3 mt -122.42 124.5 26.78 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.795 1.638 . . . . 0.0 108.696 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -81.63 179.21 5.91 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.684 2.922 . . . . 0.0 112.827 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -115.94 62.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.3 1.44 . . . . 0.0 109.191 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.44 166.83 19.56 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.978 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -139.74 168.36 20.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.602 1.161 . . . . 0.0 110.706 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p -52.53 -52.77 53.09 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.304 1.042 . . . . 0.0 109.355 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -51.71 -57.87 7.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.458 1.503 . . . . 0.0 112.233 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.13 -52.27 59.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.946 0.899 . . . . 0.0 111.896 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.07 -48.24 82.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.463 1.105 . . . . 0.0 112.113 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.05 -46.85 75.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.501 1.52 . . . . 0.0 111.578 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 t -63.68 -50.75 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 126.434 1.894 . . . . 0.0 112.109 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.36 -43.08 61.39 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.6 75.71 68.23 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.658 1.183 . . . . 0.0 111.559 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.29 135.71 70.23 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.941 3.094 . . . . 0.0 113.936 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.1 mt -63.61 128.87 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.576 1.55 . . . . 0.0 108.903 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.23 138.77 56.03 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.952 0.901 . . . . 0.0 111.992 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.59 -88.58 1.59 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.687 1.137 . . . . 0.0 111.189 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 64.0 m -140.16 138.93 35.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.359 1.864 . . . . 0.0 110.336 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 61.8 mtm-85 -67.91 138.92 56.38 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.721 0.772 . . . . 0.0 112.108 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -147.86 -167.47 2.81 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 109.893 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 25.7 mt -144.27 94.71 2.61 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.478 1.911 . . . . 0.0 109.422 174.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 123.51 16.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.004 2.121 . . . . 0.0 107.035 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.89 164.34 32.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 61.64 -139.98 47.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.9 1.715 . . . . 0.0 114.553 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.84 -42.43 47.33 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.791 1.237 . . . . 0.0 113.175 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -54.27 -32.33 55.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.06 1.344 . . . . 0.0 112.923 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -56.96 -60.09 4.09 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.313 0.961 . . . . 0.0 109.237 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -57.25 -42.39 81.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.173 0.989 . . . . 0.0 111.219 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -57.95 -46.99 84.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.949 1.3 . . . . 0.0 110.938 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.71 84.96 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.32 1.048 . . . . 0.0 110.821 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.49 -30.75 71.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.98 -1.075 . . . . 0.0 113.1 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.52 -38.62 90.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.575 1.15 . . . . 0.0 112.631 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.27 -15.52 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.101 1.76 . . . . 0.0 115.395 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.87 -37.17 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.812 1.645 . . . . 0.0 111.769 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.292 1.437 . . . . 0.0 114.722 -176.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -121.09 83.68 38.69 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.5 -106.52 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.618 2.878 . . . . 0.0 108.216 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -61.3 -18.09 56.8 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.25 -1.531 . . . . 0.0 112.214 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.43 -22.8 65.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.675 1.19 . . . . 0.0 112.11 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -53.17 -53.55 48.94 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.427 . . . . 0.0 109.707 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -54.75 -49.73 70.15 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.7 2.0 . . . . 0.0 111.083 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -56.68 -55.81 29.39 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.291 1.436 . . . . 0.0 111.378 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.59 -51.48 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.969 1.307 . . . . 0.0 110.201 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.99 -51.96 37.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.602 1.161 . . . . 0.0 111.357 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.87 -62.39 1.69 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.288 1.035 . . . . 0.0 110.852 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.71 -40.96 66.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.64 -55.07 39.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 109.082 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.44 -49.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 112.254 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.43 -45.96 80.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.579 1.081 . . . . 0.0 111.874 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.91 -44.11 96.96 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.877 0.871 . . . . 0.0 111.857 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.77 -48.59 81.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.478 0.711 . . . . 0.0 109.794 175.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -52.91 -53.86 43.22 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.543 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.9 -52.37 2.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.272 1.429 . . . . 0.0 114.034 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -80.22 -38.83 30.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.185 -0.947 . . . . 0.0 113.108 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -54.42 -40.24 68.1 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.537 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.77 -59.13 5.3 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 130.234 3.414 . . . . 0.0 109.778 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.13 -52.0 62.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.968 1.307 . . . . 0.0 110.862 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -54.61 -48.76 71.82 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.436 1.894 . . . . 0.0 112.461 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -58.71 -45.59 89.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.161 0.984 . . . . 0.0 110.584 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.5 -37.51 78.49 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.483 0.713 . . . . 0.0 112.729 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -55.94 -47.93 76.66 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.465 1.03 . . . . 0.0 111.048 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.76 -44.45 77.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.443 1.097 . . . . 0.0 111.483 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 71.47 145.14 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 130.967 3.707 . . . . 0.0 112.934 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.74 162.68 32.68 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.366 1.46 . . . . 0.0 112.297 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.9 -53.09 52.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.291 1.037 . . . . 0.0 111.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.26 131.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.646 1.179 . . . . 0.0 109.645 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -49.35 141.29 9.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.114 1.366 . . . . 0.0 113.967 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.72 -66.99 0.83 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.021 0.928 . . . . 0.0 109.384 175.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -70.87 139.26 50.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.888 1.275 . . . . 0.0 112.305 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.7 p -135.62 -61.89 0.71 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.315 1.846 . . . . 0.0 111.914 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.45 135.81 94.06 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.122 1.769 . . . . 0.0 111.954 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.71 -43.37 7.43 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.178 2.586 . . . . 0.0 113.759 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -66.88 -9.62 39.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.489 1.516 . . . . 0.0 114.708 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -51.69 -48.08 63.63 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.334 1.454 . . . . 0.0 111.056 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -46.13 -50.56 15.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 111.828 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -62.42 -51.74 66.32 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.657 1.183 . . . . 0.0 110.643 177.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.0 mmt -58.63 -37.59 76.24 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -62.42 -41.4 98.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.583 1.538 . . . . 0.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -61.91 -49.48 76.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.603 0.761 . . . . 0.0 109.976 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.44 -51.87 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.184 1.394 . . . . 0.0 110.382 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.87 -54.08 33.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.66 2.384 . . . . 0.0 111.811 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.94 -46.85 75.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 111.375 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -61.71 -48.59 80.04 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.455 0.702 . . . . 0.0 111.324 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -44.25 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.215 2.606 . . . . 0.0 114.867 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -65.64 -44.26 86.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.747 0.819 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -70.76 -52.84 18.12 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.618 1.167 . . . . 0.0 112.145 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.02 147.44 52.09 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.917 1.287 . . . . 0.0 111.172 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.9 5.11 4.97 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.925 1.69 . . . . 0.0 112.542 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.88 -73.51 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.021 0.929 . . . . 0.0 112.015 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.51 -72.58 1.21 Allowed Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.628 1.109 . . . . 0.0 112.353 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -43.2 -51.74 5.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.078 2.551 . . . . 0.0 114.058 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.47 14.75 12.85 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.736 1.615 . . . . 0.0 114.184 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.08 143.05 58.17 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.738 0.815 . . . . 0.0 110.408 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.27 -40.92 95.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.953 1.301 . . . . 0.0 111.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -71.11 114.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.34 1.456 . . . . 0.0 108.898 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.08 -49.05 69.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.552 0.741 . . . . 0.0 112.107 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -57.07 -29.37 63.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.742 1.617 . . . . 0.0 114.498 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.15 -49.73 75.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 109.785 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.73 63.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.15 0.98 . . . . 0.0 111.602 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -63.52 1.23 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.196 1.399 . . . . 0.0 112.733 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 p -49.8 -43.41 48.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.115 2.166 . . . . 0.0 114.574 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -59.7 -51.18 70.88 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.532 -0.73 . . . . 0.0 110.34 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -54.95 41.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.005 1.722 . . . . 0.0 113.399 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -52.83 -44.17 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.217 0.917 . . . . 0.0 112.704 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.61 -38.66 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.256 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.38 -46.96 66.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.83 0.741 . . . . 0.0 110.211 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -60.42 -66.24 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.176 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -50.72 -43.75 58.05 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.14 -52.28 63.79 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.408 1.483 . . . . 0.0 112.081 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -80.15 -33.72 38.26 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.14 119.27 5.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 113.063 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 p -132.11 23.59 4.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.063 2.545 . . . . 0.0 110.321 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -63.74 148.51 48.98 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 128.097 2.559 . . . . 0.0 111.339 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -51.55 -51.3 56.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.82 1.248 . . . . 0.0 111.164 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.82 131.28 15.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.631 1.572 . . . . 0.0 110.708 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.32 143.03 47.17 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.408 2.283 . . . . 0.0 105.109 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -62.84 -7.08 10.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.501 2.801 . . . . 0.0 116.616 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.05 -51.6 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.4 m -52.5 -48.99 65.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.236 1.814 . . . . 0.0 113.056 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.65 -62.06 5.69 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.625 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -58.37 -40.3 76.41 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.053 1.835 . . . . 0.0 112.71 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.58 -49.39 77.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.74 0.816 . . . . 0.0 111.555 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -55.64 -53.21 59.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.584 1.154 . . . . 0.0 109.377 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -51.68 -54.2 30.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.74 0.816 . . . . 0.0 111.514 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.67 -45.69 73.94 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.967 0.907 . . . . 0.0 112.544 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m -66.21 -48.35 70.9 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.86 1.664 . . . . 0.0 113.083 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -139.95 97.59 3.28 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.788 2.435 . . . . 0.0 111.069 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -76.81 160.4 29.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 111.91 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.55 1.54 . . . . 0.0 112.252 178.383 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -146.79 139.29 24.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.571 1.948 . . . . 0.0 109.324 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.89 -51.88 54.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.143 0.977 . . . . 0.0 112.466 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.51 -58.77 5.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.013 0.925 . . . . 0.0 109.995 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.3 35.87 0.4 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.976 1.311 . . . . 0.0 113.482 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 19.5 ptt-85 -43.83 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.557 2.343 . . . . 0.0 114.502 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.22 55.06 1.82 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.923 1.689 . . . . 0.0 108.83 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.64 100.42 3.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.06 -43.82 0.22 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 127.213 2.34 . . . . 0.0 109.816 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -45.15 -57.79 3.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.922 1.689 . . . . 0.0 111.729 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.5 p -74.39 -53.42 9.64 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.709 2.003 . . . . 0.0 111.879 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 72.6 mtp -42.64 -39.5 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.29 2.236 . . . . 0.0 114.017 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -52.43 -42.44 64.12 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.63 1.972 . . . . 0.0 113.106 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -95.02 -56.58 2.7 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.007 2.123 . . . . 0.0 111.927 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 34.2 m -58.97 -38.51 79.29 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.945 2.498 . . . . 0.0 114.671 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.59 -113.5 5.91 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.41 108.6 11.21 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.701 1.601 . . . . 0.0 107.373 172.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.66 169.43 20.87 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.111 2.54 . . . . 0.0 112.768 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -117.78 63.69 0.75 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.541 1.537 . . . . 0.0 108.516 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.63 110.78 4.41 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.485 1.114 . . . . 0.0 108.568 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 51.9 p -72.24 170.61 13.7 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.778 0.799 . . . . 0.0 111.567 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -55.42 -50.57 69.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.618 1.167 . . . . 0.0 109.18 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -53.99 -55.85 23.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.9 1.68 . . . . 0.0 111.222 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -48.8 -60.38 2.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.693 0.797 . . . . 0.0 111.361 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.8 m -56.0 -52.24 64.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.798 1.239 . . . . 0.0 113.022 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -57.78 -46.93 83.9 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.784 1.233 . . . . 0.0 112.461 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.74 -45.93 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 111.449 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.04 -51.85 54.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.672 1.589 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -130.85 75.66 78.34 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.701 1.2 . . . . 0.0 111.726 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.28 133.88 58.05 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.94 3.093 . . . . 0.0 113.092 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 28.1 mt -66.72 144.61 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.246 1.418 . . . . 0.0 109.627 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.01 109.31 2.09 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.959 0.904 . . . . 0.0 109.903 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.24 -178.88 43.54 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.98 1.276 . . . . 0.0 113.836 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 37.4 m -75.41 79.01 2.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 113.263 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.04 150.27 45.58 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.016 2.526 . . . . 0.0 108.964 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -148.81 169.12 21.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.084 0.954 . . . . 0.0 112.446 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 13.6 mt 0.59 86.29 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.455 3.502 . . . . 0.0 116.905 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.47 47.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.712 2.805 . . . . 0.0 107.432 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.84 160.33 43.33 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -174.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.55 -149.22 46.48 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 126.276 1.893 . . . . 0.0 114.369 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.06 -31.09 62.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.533 1.167 . . . . 0.0 113.568 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -53.11 -33.12 50.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.309 1.044 . . . . 0.0 111.795 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 52.3 mt -57.23 -63.18 1.31 Allowed 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 108.929 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.48 -42.82 74.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 111.874 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.68 -49.45 76.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.974 1.31 . . . . 0.0 110.547 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.83 88.82 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.843 1.257 . . . . 0.0 111.779 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.26 -44.55 96.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.732 1.213 . . . . 0.0 112.385 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.96 -41.76 75.2 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.721 1.608 . . . . 0.0 114.339 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -47.04 -21.82 0.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.55 -50.52 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -144.4 134.43 11.81 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 111.446 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -47.83 -50.69 11.2 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.845 3.03 . . . . 0.0 114.757 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.9 -40.21 96.87 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.378 -0.826 . . . . 0.0 112.101 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.02 -39.78 82.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.235 0.925 . . . . 0.0 110.442 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.238 0.926 . . . . 0.0 110.992 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -57.27 -46.09 83.42 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.405 1.082 . . . . 0.0 111.109 174.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.43 -48.99 78.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.709 1.204 . . . . 0.0 110.939 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.14 -52.51 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.84 1.256 . . . . 0.0 109.399 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -47.59 -54.22 12.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.312 1.845 . . . . 0.0 112.019 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -52.4 -57.5 9.64 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.689 1.196 . . . . 0.0 110.63 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -57.93 -39.41 77.96 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.299 1.039 . . . . 0.0 113.224 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.94 -58.05 9.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.976 1.71 . . . . 0.0 109.342 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.82 -48.86 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.215 1.406 . . . . 0.0 111.731 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.75 -51.4 69.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.665 0.666 . . . . 0.0 112.74 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.8 -46.72 84.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.008 1.323 . . . . 0.0 112.248 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.06 -54.86 42.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.795 1.238 . . . . 0.0 110.551 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -54.38 -51.52 64.54 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.474 1.11 . . . . 0.0 111.008 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.19 -54.86 4.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.733 1.613 . . . . 0.0 113.817 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -68.57 -43.15 77.19 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -54.94 -50.9 67.72 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.625 1.17 . . . . 0.0 111.142 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.83 -54.09 48.74 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 129.662 3.185 . . . . 0.0 110.464 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -53.4 -55.6 23.74 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.121 1.368 . . . . 0.0 111.49 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.23 -50.4 69.55 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.239 1.416 . . . . 0.0 111.42 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -54.41 -54.15 44.55 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.113 1.365 . . . . 0.0 111.228 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.16 -53.96 42.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.601 1.56 . . . . 0.0 111.537 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.86 -45.48 82.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.844 1.258 . . . . 0.0 112.272 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.42 3.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.666 1.187 . . . . 0.0 111.49 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -156.29 111.91 2.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.924 1.69 . . . . 0.0 111.061 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.51 -154.09 21.47 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.574 1.083 . . . . 0.0 112.844 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.61 146.71 32.45 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.557 1.943 . . . . 0.0 109.074 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.06 -43.83 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 123.898 0.879 . . . . 0.0 110.532 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -79.45 83.5 5.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.627 1.971 . . . . 0.0 108.809 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.72 -69.87 0.49 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.46 1.504 . . . . 0.0 111.347 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.62 142.97 57.88 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.805 1.642 . . . . 0.0 112.737 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -97.6 -29.24 13.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.643 1.577 . . . . 0.0 114.523 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.6 123.09 83.64 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 119.142 0.883 . . . . 0.0 110.804 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.75 -37.0 22.31 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.238 1.959 . . . . 0.0 110.714 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -58.07 -28.47 64.58 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.159 2.184 . . . . 0.0 113.553 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.32 -44.83 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.283 1.433 . . . . 0.0 110.881 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.77 -48.63 77.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.234 1.414 . . . . 0.0 111.24 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.8 m -58.13 -51.15 70.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.838 1.255 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.7 mmt -57.94 -42.0 83.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.865 1.266 . . . . 0.0 112.162 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -61.88 -41.92 98.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.145 1.378 . . . . 0.0 111.704 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -62.67 -46.86 86.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.504 -0.747 . . . . 0.0 110.268 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.57 -47.37 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.797 1.639 . . . . 0.0 110.432 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -52.19 -51.19 59.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.819 2.048 . . . . 0.0 111.815 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.97 -48.11 79.15 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.072 . . . . 0.0 111.234 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -58.42 -50.18 74.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.1 0.56 . . . . 0.0 111.369 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.4 mtp -48.77 -44.9 39.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.532 1.533 . . . . 0.0 115.056 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.9 p -69.3 -38.53 78.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.277 0.944 . . . . 0.0 112.263 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.85 -54.74 14.01 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.321 1.448 . . . . 0.0 111.444 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.94 147.29 53.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.368 1.867 . . . . 0.0 111.302 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -132.54 10.19 4.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.096 1.758 . . . . 0.0 112.042 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.3 -67.46 0.81 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.097 0.959 . . . . 0.0 112.131 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.78 -71.67 1.1 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.817 1.199 . . . . 0.0 113.372 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.99 -54.75 33.43 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.325 1.85 . . . . 0.0 110.921 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.07 53.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.47 1.508 . . . . 0.0 113.996 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.19 122.96 16.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.374 1.069 . . . . 0.0 110.932 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -66.59 -27.5 67.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.76 1.224 . . . . 0.0 113.184 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.52 118.22 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.403 1.481 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.95 53.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.76 1.624 . . . . 0.0 111.89 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -53.25 -58.52 6.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.88 1.672 . . . . 0.0 112.569 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.02 -55.87 13.0 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.253 1.821 . . . . 0.0 111.849 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.45 -43.44 64.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.931 0.892 . . . . 0.0 112.479 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.98 -57.3 4.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.767 1.627 . . . . 0.0 113.954 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -51.99 -46.48 64.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.258 2.223 . . . . 0.0 113.754 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -56.48 -43.71 79.92 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.389 -0.82 . . . . 0.0 110.773 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -56.21 23.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.229 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 pt -53.79 -42.79 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.782 0.719 . . . . 0.0 112.569 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.52 -39.23 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 118.885 -0.578 . . . . 0.0 111.215 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.0 m -53.19 -47.37 68.92 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.046 0.839 . . . . 0.0 110.293 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.87 -63.52 1.18 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.833 0.853 . . . . 0.0 110.165 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -53.93 -41.1 67.35 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.58 -49.1 78.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.946 1.298 . . . . 0.0 111.566 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -76.38 -44.95 34.05 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.272 1.429 . . . . 0.0 114.851 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.8 t -57.29 132.78 54.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.281 1.832 . . . . 0.0 113.914 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -129.78 3.51 4.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.433 2.293 . . . . 0.0 112.236 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -58.46 118.19 5.32 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.969 1.707 . . . . 0.0 109.822 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 3.25 1.87 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -146.25 20.22 1.39 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.492 1.517 . . . . 0.0 114.722 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.29 137.29 94.4 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-N 119.454 1.024 . . . . 0.0 108.607 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -58.23 -14.91 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 124.008 3.139 . . . . 0.0 116.748 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.62 -52.13 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.598 1.09 . . . . 0.0 111.499 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.89 -48.38 70.16 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.955 1.702 . . . . 0.0 112.685 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.06 -63.47 2.94 Favored Pre-proline 0 CA--C 1.546 0.803 0 CA-C-O 116.904 -1.522 . . . . 0.0 112.465 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -57.42 -37.49 97.26 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.308 2.006 . . . . 0.0 113.112 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.53 -45.02 95.96 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.493 -0.754 . . . . 0.0 111.657 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.65 -56.09 25.46 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -149.93 136.4 19.07 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.171 1.388 . . . . 0.0 112.345 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.64 -71.28 0.56 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.277 1.431 . . . . 0.0 110.895 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.3 m -141.05 151.38 43.99 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.407 1.883 . . . . 0.0 110.632 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.1 132.29 47.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.805 0.842 . . . . 0.0 111.594 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.76 148.2 45.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.553 1.941 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.529 1.531 . . . . 0.0 112.387 178.738 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.586 0.231 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.07 157.67 43.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.981 1.713 . . . . 0.0 110.927 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -110.84 -53.0 2.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.985 1.714 . . . . 0.0 110.992 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -37.95 -57.87 0.99 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.038 2.135 . . . . 0.0 113.026 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 72.5 m -131.34 64.12 1.59 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.949 1.7 . . . . 0.0 107.991 173.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 136.19 2.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.504 1.922 . . . . 0.0 112.134 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 mt 59.85 67.31 0.88 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.988 1.715 . . . . 0.0 110.201 -172.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.68 -39.16 61.65 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.167 1.387 . . . . 0.0 111.065 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.8 -19.37 20.97 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 127.064 2.269 . . . . 0.0 116.434 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -46.73 -65.34 0.57 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.679 1.592 . . . . 0.0 112.687 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 68.8 m -74.54 -26.16 59.79 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.919 1.287 . . . . 0.0 112.806 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 62.2 mtt -60.33 -33.61 72.65 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.529 1.132 . . . . 0.0 112.632 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.64 -40.0 68.55 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.344 1.458 . . . . 0.0 112.219 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.21 -61.79 1.58 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.979 1.711 . . . . 0.0 112.574 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.2 m -89.35 -51.37 5.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.436 1.495 . . . . 0.0 114.962 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.67 -88.11 1.47 Allowed Glycine 0 N--CA 1.471 1.026 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -126.02 115.64 24.06 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.085 1.754 . . . . 0.0 107.448 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.39 171.09 16.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.262 2.642 . . . . 0.0 113.627 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -110.66 63.77 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.258 1.423 . . . . 0.0 108.903 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.38 170.78 11.2 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.656 173.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 52.7 p -140.84 169.32 17.84 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.283 1.033 . . . . 0.0 110.58 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p -54.64 -50.32 68.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.209 1.004 . . . . 0.0 109.455 174.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.68 -57.84 8.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.759 1.624 . . . . 0.0 111.835 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.04 -52.14 52.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.797 0.839 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.06 -49.73 76.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.424 1.09 . . . . 0.0 112.157 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -56.4 -46.72 80.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.949 1.3 . . . . 0.0 111.813 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.1 t -61.38 -50.54 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.164 1.786 . . . . 0.0 112.213 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -75.88 -34.73 60.0 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.82 74.78 37.61 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.492 1.117 . . . . 0.0 112.142 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.5 138.16 65.94 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.19 3.26 . . . . 0.0 114.515 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.27 127.96 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.513 1.925 . . . . 0.0 108.93 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -57.08 -47.06 81.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.941 1.296 . . . . 0.0 114.211 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.27 165.25 26.29 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.006 1.288 . . . . 0.0 112.503 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -77.59 61.58 2.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.652 1.181 . . . . 0.0 111.924 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -139.57 167.3 22.4 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.48 2.712 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -153.68 177.99 10.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.508 1.523 . . . . 0.0 111.938 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.4 mt 0.43 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 130.231 3.412 . . . . 0.0 116.28 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.12 138.12 26.3 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 129.431 3.093 . . . . 0.0 110.676 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.04 157.25 47.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.144 1.378 . . . . 0.0 114.314 -175.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 53.53 -144.41 25.68 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 127.188 2.328 . . . . 0.0 116.472 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.87 -30.75 62.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.82 -31.05 58.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.947 0.794 . . . . 0.0 111.769 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.85 -64.8 0.76 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.51 -43.42 75.66 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.317 1.447 . . . . 0.0 112.009 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -56.57 -51.22 69.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.821 1.248 . . . . 0.0 110.543 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.15 87.14 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 111.65 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.22 -46.42 90.51 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.273 1.029 . . . . 0.0 112.731 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.54 -20.65 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.35 -22.76 65.23 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.937 1.244 . . . . 0.0 114.067 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 14.2 t -62.19 118.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.386 1.074 . . . . 0.0 109.129 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 123.941 0.896 . . . . 0.0 112.922 178.729 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.536 0.208 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.37 138.52 14.81 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.578 1.551 . . . . 0.0 111.327 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -60.42 -39.31 67.44 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.924 2.416 . . . . 0.0 113.492 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.97 -34.15 74.86 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.92 -1.112 . . . . 0.0 111.26 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.96 -41.73 96.9 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.85 -1.156 . . . . 0.0 109.647 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.1 -44.0 91.91 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.255 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -53.86 -49.37 68.65 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.739 1.154 . . . . 0.0 110.957 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.73 -42.44 97.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.88 1.272 . . . . 0.0 111.543 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.48 -46.7 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 110.143 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -50.99 -56.46 12.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -44.94 94.84 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.941 0.791 . . . . 0.0 111.677 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.487 HE22 HD22 ' B' ' 115' ' ' LEU . 31.8 mm-40 -55.27 -45.51 76.13 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.175 0.898 . . . . 0.0 112.074 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.66 -55.39 34.68 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.266 1.826 . . . . 0.0 109.902 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.5 -51.2 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.415 1.486 . . . . 0.0 112.363 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 28.6 mt -56.29 -47.15 79.23 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.006 0.821 . . . . 0.0 111.688 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.96 -48.83 80.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.08 0.952 . . . . 0.0 112.096 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.2 mt -56.49 -53.33 58.75 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.177 0.991 . . . . 0.0 110.19 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -54.46 -49.96 68.86 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.739 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.25 -47.12 9.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.129 1.372 . . . . 0.0 114.175 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -71.57 -46.4 59.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.562 -0.711 . . . . 0.0 111.465 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -53.18 -41.15 64.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.337 1.855 . . . . 0.0 112.203 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -53.24 -46.51 69.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.187 2.995 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -55.33 -51.21 67.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.103 0.961 . . . . 0.0 110.576 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.67 -52.29 66.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.145 0.978 . . . . 0.0 110.82 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -54.57 -49.48 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.406 1.483 . . . . 0.0 112.109 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.04 -51.38 69.51 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.519 1.928 . . . . 0.0 111.389 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -59.64 -43.71 93.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.779 0.832 . . . . 0.0 111.675 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.44 54.47 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.75 1.22 . . . . 0.0 111.899 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -146.88 112.29 5.56 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.015 1.726 . . . . 0.0 111.728 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.0 140.09 4.26 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.415 1.483 . . . . 0.0 111.627 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.59 -86.04 0.13 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.453 1.101 . . . . 0.0 110.442 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.12 -48.58 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.908 1.283 . . . . 0.0 109.808 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -146.6 156.74 43.44 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.749 2.42 . . . . 0.0 110.035 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.08 -63.4 0.77 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.529 1.532 . . . . 0.0 110.498 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.4 t -82.06 170.97 14.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.089 1.356 . . . . 0.0 114.404 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.7 m -133.38 -30.56 1.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.109 2.563 . . . . 0.0 113.705 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.9 130.26 94.41 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.415 1.086 . . . . 0.0 110.789 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.14 -52.47 0.49 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.067 2.511 . . . . 0.0 112.625 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -75.39 1.91 12.69 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 14.0 t -53.2 -50.49 64.58 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.268 1.027 . . . . 0.0 109.686 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -54.7 -46.38 74.15 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.626 1.57 . . . . 0.0 111.137 174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -54.74 -52.43 62.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.23 1.012 . . . . 0.0 110.459 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.406 ' HG3' ' HB3' ' A' ' 15' ' ' LEU . 35.0 mmt -61.67 -36.91 82.21 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 112.445 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 49.4 mttp -60.56 -40.76 92.8 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.36 1.436 . . . . 0.0 111.424 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -58.61 -49.25 78.17 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.804 0.729 . . . . 0.0 109.805 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.49 -49.0 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.207 1.803 . . . . 0.0 110.403 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.43 -51.59 53.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.046 2.139 . . . . 0.0 112.038 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.26 -44.96 84.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.616 1.166 . . . . 0.0 111.8 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -64.63 -52.28 58.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.638 -0.664 . . . . 0.0 111.397 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.9 mtp -41.97 -51.06 4.52 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.598 1.959 . . . . 0.0 114.747 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -61.61 -46.09 91.32 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.068 0.947 . . . . 0.0 112.744 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -73.2 -32.83 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 113.508 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.4 t -59.02 141.33 54.24 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.806 1.643 . . . . 0.0 112.516 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -131.82 -9.51 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.899 2.079 . . . . 0.0 112.841 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.38 81.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.982 1.313 . . . . 0.0 112.455 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.03 -109.07 2.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.022 1.296 . . . . 0.0 112.535 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -58.86 -38.6 79.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.214 1.406 . . . . 0.0 111.916 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.52 -17.4 61.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.752 1.621 . . . . 0.0 114.872 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.63 118.37 8.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.584 1.084 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -71.55 -22.15 61.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.727 1.211 . . . . 0.0 113.364 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.99 117.66 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.085 1.354 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.31 8.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.195 1.798 . . . . 0.0 112.168 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -54.51 -51.47 65.02 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.975 1.71 . . . . 0.0 113.162 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.32 -57.34 12.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.334 1.454 . . . . 0.0 111.474 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.66 70.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.45 1.1 . . . . 0.0 112.362 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 m -66.19 -57.47 7.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.232 1.413 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -52.21 -45.83 65.4 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.781 2.032 . . . . 0.0 113.545 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -58.27 -43.58 88.0 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.636 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -60.62 -56.49 20.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.34 1.456 . . . . 0.0 112.963 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -52.58 -45.47 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.048 0.84 . . . . 0.0 112.284 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.97 -38.17 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.301 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.3 m -53.77 -52.87 58.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.057 0.844 . . . . 0.0 110.251 173.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.83 -60.47 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.946 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -52.82 -43.41 65.93 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -44.8 93.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.468 1.107 . . . . 0.0 111.512 176.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.11 -43.93 85.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.568 1.147 . . . . 0.0 112.954 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.7 t -55.67 118.84 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.195 2.198 . . . . 0.0 114.72 -173.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.5 p -127.38 11.42 6.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.986 2.514 . . . . 0.0 111.025 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -59.53 143.85 49.01 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.473 2.309 . . . . 0.0 111.839 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -51.81 -49.79 62.08 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 111.688 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -147.86 127.14 13.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.611 1.564 . . . . 0.0 111.441 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.426 ' H ' ' HB2' ' A' ' 86' ' ' LEU . 1.7 t -130.19 143.56 49.67 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 128.362 2.665 . . . . 0.0 106.168 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -62.01 -6.83 8.52 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.059 3.172 . . . . 0.0 117.484 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.65 -43.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.921 1.237 . . . . 0.0 111.634 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.8 m -58.54 -56.18 25.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.561 1.544 . . . . 0.0 111.406 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' HB2' ' H ' ' A' ' 82' ' ' CYS . 3.4 tm? -37.92 -61.39 0.8 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.371 1.869 . . . . 0.0 115.05 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.0 -38.39 94.77 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.664 2.243 . . . . 0.0 113.798 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.3 mt -73.34 -52.72 12.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.77 1.228 . . . . 0.0 111.605 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -53.58 -50.52 65.43 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 130.711 3.604 . . . . 0.0 111.909 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -128.42 81.98 2.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.881 1.672 . . . . 0.0 109.981 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.54 -54.35 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.482 1.113 . . . . 0.0 111.794 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 m -61.93 144.99 54.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.994 1.718 . . . . 0.0 113.097 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.11 143.03 57.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.167 0.987 . . . . 0.0 111.684 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -135.37 122.27 21.19 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.42 1.888 . . . . 0.0 109.935 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.522 1.529 . . . . 0.0 111.672 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.578 0.228 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -146.89 152.12 38.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.951 1.701 . . . . 0.0 111.16 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -147.31 -47.0 0.17 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.481 1.912 . . . . 0.0 111.68 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.32 9.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.753 0.821 . . . . 0.0 111.77 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 81.5 m -79.99 12.36 2.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.437 1.495 . . . . 0.0 114.863 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -26.04 -69.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 129.007 2.923 . . . . 0.0 115.185 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.26 71.08 1.36 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.062 1.745 . . . . 0.0 108.963 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.85 -40.3 92.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.091 0.956 . . . . 0.0 111.96 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -39.75 -41.82 1.92 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 127.202 2.334 . . . . 0.0 114.292 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -39.33 -56.92 1.47 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.054 2.142 . . . . 0.0 113.352 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 m -99.98 -26.37 14.01 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 61.5 mtp -63.29 -29.66 70.94 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.011 0.823 . . . . 0.0 112.428 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.08 -33.8 58.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.046 1.338 . . . . 0.0 112.667 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.67 90.24 1.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.161 1.384 . . . . 0.0 111.557 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.2 m 55.59 19.55 3.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.595 2.358 . . . . 0.0 116.226 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.28 -67.16 3.52 Favored Glycine 0 CA--C 1.532 1.12 0 O-C-N 120.732 -1.23 . . . . 0.0 112.139 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 12' ' ' GLN . 77.7 mt -137.04 138.01 24.51 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.983 2.113 . . . . 0.0 109.667 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -82.01 178.84 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.143 2.562 . . . . 0.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -119.19 60.65 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.715 1.606 . . . . 0.0 108.863 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.17 171.22 12.42 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.054 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.7 p -141.48 169.83 16.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.927 1.291 . . . . 0.0 110.246 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -54.4 -51.51 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.975 0.91 . . . . 0.0 109.586 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -51.91 -58.78 5.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.248 1.419 . . . . 0.0 111.805 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.9 -51.33 61.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.156 0.982 . . . . 0.0 111.896 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 74.6 m -61.8 -48.92 78.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.202 1.001 . . . . 0.0 112.251 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.89 -45.55 82.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.863 1.265 . . . . 0.0 111.379 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.976 1.71 . . . . 0.0 111.811 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -73.19 -38.39 66.16 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.0 76.77 57.86 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.993 1.317 . . . . 0.0 111.715 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.25 142.25 68.46 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 124.152 3.235 . . . . 0.0 114.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 20.5 mt -84.31 147.04 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 125.798 1.639 . . . . 0.0 109.655 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -54.91 -54.8 37.92 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.95 -24.33 0.41 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 117.684 1.834 . . . . 0.0 117.684 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -54.24 -43.69 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.243 1.521 . . . . 0.0 113.078 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -143.5 165.3 27.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.147 2.179 . . . . 0.0 110.599 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -120.06 -34.96 3.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.337 1.455 . . . . 0.0 112.477 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.3 mt -134.73 96.57 3.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.19 1.396 . . . . 0.0 110.07 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 120.69 16.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.593 2.357 . . . . 0.0 106.624 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -138.08 161.86 35.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.626 1.171 . . . . 0.0 114.046 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 62.72 -143.43 48.66 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.589 2.042 . . . . 0.0 115.34 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.51 -35.11 52.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.356 1.062 . . . . 0.0 113.292 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -54.23 -34.29 60.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 0.0 112.129 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.44 -59.98 4.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.293 1.037 . . . . 0.0 109.12 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.47 -44.25 80.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.773 1.229 . . . . 0.0 111.498 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -57.01 -49.2 76.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.65 1.18 . . . . 0.0 110.852 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.87 72.34 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.663 1.185 . . . . 0.0 110.924 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.613 1.097 . . . . 0.0 112.586 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.92 -27.87 69.12 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.397 1.479 . . . . 0.0 114.735 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.56 -15.14 10.07 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.41 -51.57 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.809 1.244 . . . . 0.0 110.93 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.4 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.967 2.907 . . . . 0.0 115.441 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.425 0.155 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.16 134.48 13.64 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.389 1.475 . . . . 0.0 111.713 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.4 -49.49 14.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.929 3.086 . . . . 0.0 114.657 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.45 -40.8 96.41 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.091 -1.006 . . . . 0.0 112.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.97 -37.04 75.88 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.926 0.784 . . . . 0.0 110.568 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -64.05 -45.23 89.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.75 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -54.27 -49.36 69.74 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.631 1.105 . . . . 0.0 110.944 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.18 -46.92 84.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.19 1.396 . . . . 0.0 111.102 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.76 -48.66 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.935 1.294 . . . . 0.0 110.752 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -51.04 -55.12 19.07 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.903 1.229 . . . . 0.0 109.927 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -56.44 14.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.893 1.277 . . . . 0.0 111.468 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -55.1 -43.05 73.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.377 1.071 . . . . 0.0 112.588 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -57.09 -57.0 14.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.821 1.649 . . . . 0.0 109.542 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.97 -48.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.331 1.452 . . . . 0.0 112.368 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.89 -47.09 86.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.5 1.045 . . . . 0.0 111.618 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.41 -43.59 92.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.377 1.071 . . . . 0.0 111.935 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.55 -49.84 75.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.793 0.837 . . . . 0.0 110.185 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -54.54 -49.62 69.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.169 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.92 -52.05 5.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.775 1.63 . . . . 0.0 114.243 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -71.99 -42.87 65.96 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.041 -1.037 . . . . 0.0 111.915 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.18 -38.99 71.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.471 1.108 . . . . 0.0 111.979 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.8 t -56.84 -55.98 27.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 129.474 3.11 . . . . 0.0 109.707 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.82 -44.76 86.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.132 1.373 . . . . 0.0 111.294 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -53.28 60.05 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.072 1.749 . . . . 0.0 111.083 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -51.01 -54.11 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.869 2.068 . . . . 0.0 111.112 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -55.03 -54.32 44.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.589 1.556 . . . . 0.0 112.121 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.27 -45.86 92.73 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.525 1.13 . . . . 0.0 112.815 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.01 -52.21 66.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.513 1.525 . . . . 0.0 112.426 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -153.13 -55.79 0.12 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.723 1.209 . . . . 0.0 112.49 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.12 167.95 17.89 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.676 2.084 . . . . 0.0 110.681 -173.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.8 154.85 38.05 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.699 1.6 . . . . 0.0 109.623 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -53.01 -43.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.698 1.199 . . . . 0.0 110.221 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -118.8 74.94 1.0 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.965 2.106 . . . . 0.0 108.286 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.08 2.88 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.576 1.15 . . . . 0.0 110.113 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -81.62 167.91 18.72 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.313 1.845 . . . . 0.0 110.933 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.7 m -133.97 -22.97 1.79 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mp -134.93 139.91 33.54 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 120.144 1.338 . . . . 0.0 112.068 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -63.35 -28.68 71.92 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.936 2.424 . . . . 0.0 113.143 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -68.01 -17.25 64.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.958 2.103 . . . . 0.0 113.98 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.7 t -52.57 -43.06 65.02 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.291 1.836 . . . . 0.0 111.602 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -44.77 -51.24 9.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.372 1.869 . . . . 0.0 112.933 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -59.42 -51.82 68.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.551 0.74 . . . . 0.0 110.198 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -58.79 -41.36 86.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.825 -0.607 . . . . 0.0 112.626 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -62.62 -45.91 90.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.387 1.475 . . . . 0.0 111.266 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.73 -48.62 80.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.243 0.617 . . . . 0.0 110.463 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.21 -50.55 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.626 1.571 . . . . 0.0 110.677 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.46 -53.24 39.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.383 2.273 . . . . 0.0 111.643 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -55.11 -45.22 75.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.061 0.944 . . . . 0.0 111.674 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -63.11 -50.83 68.94 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.657 -0.652 . . . . 0.0 110.828 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -48.04 11.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.343 2.657 . . . . 0.0 114.947 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -62.61 -45.88 90.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.469 -0.769 . . . . 0.0 112.437 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -69.62 -49.64 52.0 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.472 1.509 . . . . 0.0 112.344 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.3 145.91 54.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.37 1.468 . . . . 0.0 111.107 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -131.75 5.47 4.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.505 1.922 . . . . 0.0 112.383 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.09 -58.0 3.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.987 1.315 . . . . 0.0 112.775 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 -89.09 0.21 Allowed Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.775 1.178 . . . . 0.0 113.436 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -58.18 -47.99 81.69 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.893 1.277 . . . . 0.0 111.283 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.29 -13.8 59.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.387 1.475 . . . . 0.0 114.462 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.1 133.09 49.99 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.174 0.897 . . . . 0.0 111.367 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.03 -32.7 74.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.987 1.315 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.97 114.99 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.4 1.48 . . . . 0.0 110.672 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.15 60.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.563 1.545 . . . . 0.0 112.091 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -60.54 -38.69 85.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.257 1.423 . . . . 0.0 113.693 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.76 -57.23 13.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.423 1.465 . . . . 0.0 109.987 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.34 -44.01 61.91 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.829 1.251 . . . . 0.0 112.436 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -69.16 -58.79 3.59 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.543 1.537 . . . . 0.0 113.566 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 p -51.4 -41.81 60.99 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 114.425 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -61.42 -37.81 84.84 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.939 -1.101 . . . . 0.0 111.988 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -55.2 13.78 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.347 1.859 . . . . 0.0 111.889 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.16 -44.07 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.729 0.695 . . . . 0.0 112.794 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -69.46 -40.18 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.438 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -53.64 -50.66 65.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.961 0.801 . . . . 0.0 109.89 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.05 -63.97 0.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.713 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -52.32 -44.92 65.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.103 1.319 . . . . 0.0 114.153 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -58.96 -46.24 88.55 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.597 1.159 . . . . 0.0 112.071 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -73.91 -40.14 63.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.871 1.268 . . . . 0.0 113.497 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.76 122.71 13.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 113.155 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -134.23 24.72 3.85 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.059 2.544 . . . . 0.0 110.195 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -65.09 149.53 49.72 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 128.459 2.704 . . . . 0.0 112.707 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -51.55 -50.67 59.6 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.938 1.695 . . . . 0.0 111.176 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.91 127.1 9.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.952 1.701 . . . . 0.0 110.782 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -130.73 144.04 51.83 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.866 2.866 . . . . 0.0 105.795 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -63.29 5.71 0.29 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.533 3.489 . . . . 0.0 117.517 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.84 -51.11 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 119.885 1.221 . . . . 0.0 109.693 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.3 m -52.4 -50.09 63.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.384 2.273 . . . . 0.0 112.136 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.33 -64.75 1.22 Allowed Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 116.886 -1.53 . . . . 0.0 112.491 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -58.64 -40.85 69.75 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.236 1.957 . . . . 0.0 113.305 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -57.01 -46.12 82.55 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.186 0.903 . . . . 0.0 111.699 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -64.69 -54.33 33.28 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.882 1.673 . . . . 0.0 111.173 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -145.84 118.44 8.57 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.077 1.351 . . . . 0.0 113.016 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.61 -57.71 0.99 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.711 2.005 . . . . 0.0 108.658 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -74.6 146.86 42.15 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.38 1.472 . . . . 0.0 109.99 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.16 134.54 56.15 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.48 -0.762 . . . . 0.0 112.091 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -132.28 108.48 9.25 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.201 1.8 . . . . 0.0 109.791 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.894 1.678 . . . . 0.0 112.287 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.62 0.248 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.82 151.66 38.28 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.927 1.691 . . . . 0.0 111.022 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 68.0 tp -165.8 99.0 0.67 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.045 2.138 . . . . 0.0 109.428 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.02 -74.42 0.13 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.773 1.629 . . . . 0.0 107.482 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 62.7 m -70.13 -54.53 12.55 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 179.67 -67.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.728 1 C-N-CA 131.928 4.091 . . . . 0.0 106.321 176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 69.0 mt -147.07 103.97 3.64 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.443 2.697 . . . . 0.0 109.266 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.93 114.96 4.43 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.54 -42.85 1.0 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.101 1.81 . . . . 0.0 110.908 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.63 -68.28 0.21 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.17 2.188 . . . . 0.0 112.832 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 75.3 m -81.07 -21.15 40.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.026 1.33 . . . . 0.0 112.855 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 55.7 mtp -59.87 -36.74 77.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.09 0.956 . . . . 0.0 111.224 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.39 -37.03 67.06 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.359 1.464 . . . . 0.0 113.365 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -66.63 -51.32 57.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.506 1.522 . . . . 0.0 114.519 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.9 m -122.94 -19.17 6.21 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -173.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.16 -78.4 1.58 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.154 1.359 . . . . 0.0 110.777 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.6 mt -138.39 120.58 10.64 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 127.33 2.252 . . . . 0.0 108.154 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -79.58 175.03 11.08 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.745 2.297 . . . . 0.0 113.09 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -122.26 68.2 0.94 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.151 1.78 . . . . 0.0 107.952 172.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.0 175.83 4.84 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.348 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -140.57 168.38 19.94 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 109.614 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.1 p -55.34 -47.71 75.31 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.09 -59.22 4.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.234 1.814 . . . . 0.0 111.585 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.31 -52.46 52.93 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.756 0.822 . . . . 0.0 111.718 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.66 -50.42 72.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.822 1.249 . . . . 0.0 112.427 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -53.26 -48.43 68.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.387 1.475 . . . . 0.0 111.703 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.39 -50.97 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.341 1.856 . . . . 0.0 112.602 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -76.25 -41.05 50.32 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.98 81.59 61.88 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 125.954 1.702 . . . . 0.0 111.293 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.01 167.62 5.42 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.738 3.625 . . . . 0.0 115.414 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.65 128.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.448 1.899 . . . . 0.0 108.528 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.86 -48.72 75.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.935 0.894 . . . . 0.0 113.102 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -90.44 -168.18 42.31 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.514 1.53 . . . . 0.0 114.565 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -69.39 -12.81 61.97 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -65.0 163.85 13.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.439 1.018 . . . . 0.0 111.809 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -139.59 -53.59 0.55 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.806 1.642 . . . . 0.0 111.904 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 63.0 mt -142.02 117.17 10.05 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.742 2.017 . . . . 0.0 109.083 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 142.55 56.85 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.664 1.985 . . . . 0.0 110.619 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -128.85 149.72 50.64 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.13 -132.83 4.27 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 127.49 2.471 . . . . 0.0 117.556 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.67 -37.05 58.1 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 114.376 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.73 -31.98 59.06 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.99 -65.35 0.61 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 108.997 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.98 -44.53 70.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.592 1.157 . . . . 0.0 111.48 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -55.3 -51.07 67.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.501 1.121 . . . . 0.0 111.199 175.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.71 96.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.207 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.29 -45.09 93.03 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.095 0.958 . . . . 0.0 112.42 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.17 -35.67 71.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.689 1.596 . . . . 0.0 115.229 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.4 -18.78 0.69 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -61.15 -37.93 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.211 1.404 . . . . 0.0 112.027 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.58 140.78 15.54 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.985 1.314 . . . . 0.0 111.887 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -57.29 -33.62 96.43 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.365 2.71 . . . . 0.0 113.92 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -64.96 -47.89 76.01 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.389 0.995 . . . . 0.0 110.247 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.24 -40.23 93.27 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.808 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -61.67 -48.7 79.64 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.683 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -61.19 -37.9 84.59 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.221 1.373 . . . . 0.0 111.931 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.8 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.962 . . . . 0.0 110.329 173.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -58.02 -49.13 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.605 1.562 . . . . 0.0 110.363 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -51.39 -54.11 29.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.671 1.188 . . . . 0.0 110.799 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -54.45 -57.55 10.9 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.53 1.532 . . . . 0.0 110.55 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -50.5 -47.23 57.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.945 1.698 . . . . 0.0 112.886 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.52 -55.77 28.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.822 1.649 . . . . 0.0 109.47 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.06 -48.58 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.33 1.452 . . . . 0.0 112.084 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -56.04 -48.5 75.89 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.35 0.977 . . . . 0.0 111.734 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.9 -47.32 83.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.812 1.245 . . . . 0.0 111.796 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.45 -50.44 73.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.581 1.153 . . . . 0.0 110.509 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -54.58 -53.0 60.33 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.744 0.818 . . . . 0.0 110.548 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.57 -49.53 13.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 113.56 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -63.81 -48.0 78.61 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.055 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -56.59 -45.88 81.15 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 119.407 1.003 . . . . 0.0 111.532 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 t -55.98 -53.24 59.33 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.711 2.005 . . . . 0.0 110.327 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -56.86 -53.82 53.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.144 1.378 . . . . 0.0 111.418 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -51.23 -55.2 19.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.065 2.146 . . . . 0.0 110.893 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -54.1 -56.88 13.86 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.226 2.21 . . . . 0.0 110.948 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -52.27 -53.05 48.79 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.467 1.507 . . . . 0.0 111.918 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -59.44 -47.8 84.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.581 1.152 . . . . 0.0 112.52 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -69.59 0.31 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.995 1.318 . . . . 0.0 112.315 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -170.26 107.8 0.34 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.98 2.512 . . . . 0.0 109.119 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.76 69.44 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 124.848 1.213 . . . . 0.0 112.373 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.42 -61.1 2.3 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.013 1.325 . . . . 0.0 110.514 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -85.19 110.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -71.33 102.47 2.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.392 1.077 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.43 -29.66 66.31 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.848 1.259 . . . . 0.0 112.86 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -53.67 119.93 5.56 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.381 1.872 . . . . 0.0 113.338 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 m -135.33 28.93 3.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.568 1.947 . . . . 0.0 111.243 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -133.55 105.07 11.97 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.424 1.89 . . . . 0.0 110.978 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -49.68 -43.36 40.27 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.657 2.905 . . . . 0.0 114.28 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -68.79 -9.59 51.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.838 2.055 . . . . 0.0 115.532 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.43 -50.23 63.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.277 1.431 . . . . 0.0 111.365 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -52.58 -44.4 65.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.843 1.257 . . . . 0.0 111.89 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -60.76 -49.5 77.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.28 1.032 . . . . 0.0 109.959 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -59.48 -38.58 81.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.342 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -60.68 -42.96 98.17 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.266 1.394 . . . . 0.0 111.415 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -60.18 -48.81 80.18 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.563 0.745 . . . . 0.0 109.925 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.31 -55.72 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.359 1.463 . . . . 0.0 110.041 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -49.42 -55.82 11.79 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.493 2.717 . . . . 0.0 112.261 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -54.92 -45.47 74.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.959 1.304 . . . . 0.0 111.853 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.22 -48.48 70.42 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.712 -0.617 . . . . 0.0 110.58 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.68 -47.9 7.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.077 2.551 . . . . 0.0 114.871 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -63.17 -47.56 82.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.158 0.983 . . . . 0.0 112.407 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.89 -45.39 67.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.577 1.551 . . . . 0.0 112.374 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.72 141.75 57.66 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.302 1.841 . . . . 0.0 111.212 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -126.21 -3.92 6.83 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.329 1.452 . . . . 0.0 112.863 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.6 -55.86 6.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 112.164 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -88.12 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.016 1.293 . . . . 0.0 112.66 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -56.34 -48.53 76.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.832 1.653 . . . . 0.0 111.735 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.52 -13.01 58.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.16 134.01 51.86 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.924 1.238 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.3 -36.06 82.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.237 1.415 . . . . 0.0 113.266 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.04 124.2 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.492 1.517 . . . . 0.0 110.506 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.55 -64.3 0.87 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.496 1.518 . . . . 0.0 112.926 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.975 1.31 . . . . 0.0 114.411 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.78 -47.56 70.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.288 1.435 . . . . 0.0 111.759 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.24 -54.08 42.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.804 1.242 . . . . 0.0 111.494 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m -58.64 -54.09 51.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.279 1.832 . . . . 0.0 114.157 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p -52.69 -34.2 50.97 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.512 1.925 . . . . 0.0 114.026 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -67.62 -52.82 33.79 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.857 0.753 . . . . 0.0 109.794 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -56.09 10.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.695 1.998 . . . . 0.0 112.706 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.51 -45.07 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.7 mm -73.99 -38.54 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.66 0.784 . . . . 0.0 111.615 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -53.45 -48.52 68.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.877 1.271 . . . . 0.0 109.241 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -58.74 -64.99 0.73 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.602 1.161 . . . . 0.0 109.891 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -47.82 -47.05 31.34 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -59.51 -47.88 83.8 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.143 0.977 . . . . 0.0 112.224 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -71.36 -34.73 70.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.325 . . . . 0.0 113.685 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.31 121.56 14.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.14 1.776 . . . . 0.0 113.538 -175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -133.61 29.92 3.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.777 2.831 . . . . 0.0 110.208 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.82 155.41 6.04 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 128.338 2.655 . . . . 0.0 114.072 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -59.6 -50.84 72.33 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 169.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -154.75 128.13 8.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.962 2.105 . . . . 0.0 111.197 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -129.17 142.05 43.87 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.152 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.92 -13.49 27.42 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.411 2.741 . . . . 0.0 116.938 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.22 -51.62 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.473 1.033 . . . . 0.0 110.505 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 82' ' ' CYS . 5.1 m -52.01 -54.05 34.55 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.178 2.191 . . . . 0.0 113.364 -178.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.65 -61.2 6.64 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 117.271 -1.347 . . . . 0.0 111.851 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.23 -43.82 52.41 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.152 1.901 . . . . 0.0 113.442 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.53 -51.59 69.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.163 0.892 . . . . 0.0 111.601 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -57.8 -48.64 79.14 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.625 1.57 . . . . 0.0 110.994 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.26 -48.52 73.88 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 111.628 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.6 79.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.909 0.884 . . . . 0.0 111.553 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 m -59.46 -45.92 90.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.61 113.94 5.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.024 1.73 . . . . 0.0 112.254 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -142.72 156.09 44.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.729 1.612 . . . . 0.0 112.196 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 128.619 2.768 . . . . 0.0 110.811 177.707 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.306 0.098 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.15 141.24 58.84 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.853 0.861 . . . . 0.0 111.308 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 33.8 tp -72.16 -39.07 68.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.15 -58.96 3.89 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.745 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 56.7 m -80.02 37.78 0.38 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.548 1.539 . . . . 0.0 112.797 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -53.62 -46.93 70.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.09 1.356 . . . . 0.0 111.619 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.9 mt -147.07 121.55 9.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.794 2.837 . . . . 0.0 107.349 174.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.63 -5.9 9.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.505 1.122 . . . . 0.0 112.053 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.18 -3.55 85.41 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.124 1.345 . . . . 0.0 112.947 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -31.56 -52.02 0.22 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.535 3.134 . . . . 0.0 114.294 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 14.3 m -125.98 -1.04 7.2 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.716 1.206 . . . . 0.0 113.559 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 26.4 mmt -61.18 -36.6 80.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.319 1.447 . . . . 0.0 111.433 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.29 -41.64 76.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.653 1.181 . . . . 0.0 111.395 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.51 -56.33 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.748 1.619 . . . . 0.0 111.756 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -159.4 -50.72 0.06 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.611 1.564 . . . . 0.0 112.585 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.3 -93.71 0.51 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 126.597 2.046 . . . . 0.0 111.045 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.05 123.52 83.44 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.52 0.728 . . . . 0.0 112.231 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.01 -167.54 0.43 Allowed 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.201 3.267 . . . . 0.0 112.145 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.05 62.46 1.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.824 1.649 . . . . 0.0 108.69 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.91 167.93 19.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.522 175.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 73.5 p -138.95 170.47 15.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.49 1.516 . . . . 0.0 109.516 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.2 p -57.62 -47.07 83.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.878 -0.514 . . . . 0.0 109.894 175.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.01 -56.73 12.5 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.088 1.355 . . . . 0.0 111.894 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.21 -49.31 69.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.811 0.844 . . . . 0.0 111.705 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 78.1 m -61.66 -49.47 76.39 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.368 1.067 . . . . 0.0 112.094 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.86 -49.92 69.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.208 1.403 . . . . 0.0 111.256 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.68 -50.4 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.156 1.783 . . . . 0.0 112.174 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -73.82 -39.88 63.76 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.01 79.14 33.38 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.446 1.498 . . . . 0.0 111.49 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.75 141.48 79.0 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.629 2.886 . . . . 0.0 113.965 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.26 141.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.991 1.316 . . . . 0.0 107.75 173.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -57.57 -53.29 59.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.067 0.849 . . . . 0.0 112.679 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.28 -166.65 38.56 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.809 1.195 . . . . 0.0 111.869 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 33.8 m -56.02 129.15 38.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.455 -1.027 . . . . 0.0 110.813 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -57.35 118.06 4.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.49 0.716 . . . . 0.0 111.159 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -152.2 128.94 10.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.531 1.532 . . . . 0.0 109.744 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.83 116.64 21.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.3 0.64 . . . . 0.0 110.578 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 136.32 54.34 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.095 2.558 . . . . 0.0 109.762 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -126.81 161.99 26.93 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.82 -136.81 3.73 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 128.007 2.718 . . . . 0.0 117.601 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.45 -36.94 55.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.902 1.281 . . . . 0.0 113.848 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.98 -30.77 62.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.732 0.813 . . . . 0.0 112.249 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.98 -60.58 3.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.56 -44.92 77.28 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.983 1.313 . . . . 0.0 111.552 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -57.12 -49.47 75.79 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.111 0.964 . . . . 0.0 111.092 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.33 85.8 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.498 1.119 . . . . 0.0 111.243 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 mt -59.97 -48.03 83.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.339 1.055 . . . . 0.0 112.435 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.03 -20.04 64.95 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -60.9 -24.8 66.27 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 9.6 t -62.94 122.27 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.422 -0.799 . . . . 0.0 112.747 179.419 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.651 0.262 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.2 134.64 10.85 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.891 1.676 . . . . 0.0 111.377 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -58.18 -36.12 98.12 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.39 2.727 . . . . 0.0 113.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.39 -56.84 13.04 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.692 1.133 . . . . 0.0 110.109 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -53.61 -41.78 67.0 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.386 174.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.33 -55.19 36.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.644 1.111 . . . . 0.0 111.347 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.06 -34.52 75.03 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 121.013 1.733 . . . . 0.0 113.538 177.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.51 -43.88 98.07 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.054 0.942 . . . . 0.0 110.338 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.0 -49.36 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.202 1.401 . . . . 0.0 109.535 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' ' 84' ' ' VAL . 56.6 mt-30 -50.24 -49.91 51.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.457 1.026 . . . . 0.0 110.639 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -56.29 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.992 1.317 . . . . 0.0 110.993 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -53.14 -43.35 66.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.333 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -57.67 10.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.415 1.486 . . . . 0.0 110.746 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.37 -47.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.033 0.933 . . . . 0.0 111.325 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.47 -47.53 79.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.305 0.642 . . . . 0.0 112.048 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 tp -62.07 -49.07 77.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.105 1.362 . . . . 0.0 112.489 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.61 -51.5 65.14 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.47 0.708 . . . . 0.0 110.187 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -58.1 -46.28 85.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.122 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.22 13.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.715 1.606 . . . . 0.0 113.684 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -71.17 -51.14 26.5 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.479 -0.763 . . . . 0.0 110.477 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -51.21 -45.3 61.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.589 1.155 . . . . 0.0 113.013 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.5 t -45.8 -49.32 15.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 129.016 2.926 . . . . 0.0 112.178 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -57.08 -49.85 74.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 111.038 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -64.87 -43.52 92.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.084 0.953 . . . . 0.0 111.823 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -57.12 -47.74 80.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.011 2.124 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.97 -50.14 64.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.973 1.309 . . . . 0.0 110.704 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -62.12 -42.77 99.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.02 0.928 . . . . 0.0 112.006 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.83 -60.74 3.06 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.147 1.379 . . . . 0.0 112.803 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -153.27 131.34 11.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.455 1.502 . . . . 0.0 112.926 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -161.5 136.3 4.35 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.735 2.112 . . . . 0.0 109.782 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -137.35 -101.5 0.19 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.813 0.845 . . . . 0.0 110.749 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.79 -41.21 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.54 1.136 . . . . 0.0 109.876 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -142.72 164.1 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.49 2.316 . . . . 0.0 110.194 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.1 -65.61 0.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.342 1.857 . . . . 0.0 109.206 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.89 153.37 30.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.069 1.747 . . . . 0.0 112.044 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 m -132.33 -13.25 3.07 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.043 1.737 . . . . 0.0 113.754 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.16 123.47 89.41 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.556 1.142 . . . . 0.0 109.884 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.78 -51.87 0.61 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.123 1.882 . . . . 0.0 111.521 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -69.92 -9.51 55.25 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.418 1.887 . . . . 0.0 115.996 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.46 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 10.3 t -57.09 -47.01 82.08 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.062 1.345 . . . . 0.0 109.544 172.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -44.79 79.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.078 1.751 . . . . 0.0 111.517 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.6 m -58.58 -50.36 74.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.848 0.859 . . . . 0.0 110.064 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.3 mmt -57.76 -37.49 73.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.34 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 59.9 mttp -60.98 -43.77 98.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.804 1.638 . . . . 0.0 111.873 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -60.23 -46.58 89.3 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.512 0.725 . . . . 0.0 110.222 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.64 -52.75 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.773 1.629 . . . . 0.0 110.284 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.33 -51.43 34.42 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 128.622 2.769 . . . . 0.0 111.838 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -53.57 -54.84 31.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.38 -49.36 74.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.879 0.471 . . . . 0.0 110.336 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -48.63 15.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.463 1.905 . . . . 0.0 113.63 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -41.21 94.46 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -68.48 -39.86 81.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.909 0.884 . . . . 0.0 112.276 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.9 t -60.18 139.62 57.43 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.237 1.815 . . . . 0.0 111.466 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -131.41 11.15 4.9 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.235 1.814 . . . . 0.0 111.985 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.03 161.64 15.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.388 1.075 . . . . 0.0 111.242 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.11 -117.18 2.8 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.77 -18.53 62.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.843 1.257 . . . . 0.0 113.053 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.09 73.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.794 2.038 . . . . 0.0 116.109 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.2 t -61.5 115.03 3.58 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.877 0.762 . . . . 0.0 110.404 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.45 -22.94 63.61 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.76 1.224 . . . . 0.0 113.7 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.97 114.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.903 1.281 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.5 -59.19 3.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.891 1.677 . . . . 0.0 112.103 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -54.34 -45.34 72.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.102 1.361 . . . . 0.0 113.174 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.11 -56.81 17.17 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.704 1.138 . . . . 0.0 110.705 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -52.12 55.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.926 1.29 . . . . 0.0 112.73 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 p -66.0 -52.35 50.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.684 0.793 . . . . 0.0 112.991 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -53.22 -43.88 67.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.802 1.241 . . . . 0.0 113.472 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -58.19 -47.07 84.58 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.995 -1.065 . . . . 0.0 110.567 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -55.01 37.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.442 1.497 . . . . 0.0 113.085 177.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.5 pt -53.5 -45.94 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.592 1.087 . . . . 0.0 112.72 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.1 mm -66.73 -40.97 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.263 0.483 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.81 -50.08 64.36 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.734 0.814 . . . . 0.0 110.369 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -59.65 -61.53 2.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 110.609 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -52.76 -42.32 64.86 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.76 -44.84 95.13 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.728 1.211 . . . . 0.0 112.171 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -74.11 -48.52 29.04 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.233 1.413 . . . . 0.0 113.57 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.23 122.19 15.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.612 1.565 . . . . 0.0 113.099 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.1 p -134.74 21.22 3.57 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.769 2.028 . . . . 0.0 111.119 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -60.19 150.99 28.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.706 2.002 . . . . 0.0 112.858 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -56.35 -32.35 64.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.395 1.078 . . . . 0.0 112.145 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.91 134.47 15.4 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.538 1.535 . . . . 0.0 112.136 172.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.45 142.67 16.55 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 128.118 2.567 . . . . 0.0 104.461 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.86 0.48 1.54 Allowed 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.822 3.015 . . . . 0.0 117.164 -174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -138.4 -49.63 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 119.927 1.239 . . . . 0.0 110.403 177.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.6 m -52.45 -52.93 51.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.483 1.913 . . . . 0.0 112.055 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.9 -62.34 3.53 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 116.735 -1.603 . . . . 0.0 113.506 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -57.04 -33.78 96.37 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.349 2.032 . . . . 0.0 114.075 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.05 -46.68 64.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.503 1.121 . . . . 0.0 111.578 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -60.25 -55.24 36.17 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.293 1.837 . . . . 0.0 110.893 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -137.6 102.29 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.91 2.084 . . . . 0.0 110.825 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.66 84.69 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.593 0.757 . . . . 0.0 112.058 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.6 m -77.29 64.42 2.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.926 1.69 . . . . 0.0 112.206 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.19 -32.13 73.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.827 1.651 . . . . 0.0 110.69 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -125.85 161.33 27.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.109 2.563 . . . . 0.0 110.698 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.632 1.973 . . . . 0.0 111.655 -179.603 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.677 0.275 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -147.19 150.38 34.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.145 1.778 . . . . 0.0 110.727 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.53 -91.68 0.09 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.152 1.781 . . . . 0.0 106.896 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 25.33 65.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 128.134 2.574 . . . . 0.0 113.797 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.0 m 54.91 65.95 1.37 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.412 1.885 . . . . 0.0 111.89 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.14 136.6 1.53 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.456 1.903 . . . . 0.0 113.915 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 52.1 mt 53.7 71.7 0.49 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.441 1.897 . . . . 0.0 112.522 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.84 -31.63 71.05 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.779 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -37.24 -40.27 0.57 Allowed Glycine 0 CA--C 1.533 1.182 0 C-N-CA 128.475 2.94 . . . . 0.0 113.539 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -41.66 -53.4 3.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.282 2.233 . . . . 0.0 112.629 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -91.56 -34.74 14.63 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.698 1.999 . . . . 0.0 112.784 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 94.5 mtp -58.31 -37.15 74.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.766 0.827 . . . . 0.0 111.351 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.68 -44.15 93.74 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.586 1.555 . . . . 0.0 112.149 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.01 -50.64 54.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.501 1.52 . . . . 0.0 114.272 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -123.63 -11.73 7.74 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.54 -100.93 0.93 Allowed Glycine 0 N--CA 1.47 0.96 0 CA-C-N 120.23 1.377 . . . . 0.0 110.112 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.28 130.61 22.66 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 108.112 171.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -82.15 -173.02 1.6 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.512 2.808 . . . . 0.0 111.861 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -122.85 60.12 1.04 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.647 1.579 . . . . 0.0 108.284 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.01 156.63 35.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.044 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 72.9 p -128.2 170.45 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.304 1.042 . . . . 0.0 110.76 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -55.67 -49.89 71.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 109.254 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -52.34 -56.5 14.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.961 1.304 . . . . 0.0 112.29 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -54.46 -49.55 69.79 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.374 0.67 . . . . 0.0 111.718 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.4 m -62.84 -46.9 85.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.337 1.055 . . . . 0.0 112.2 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.13 -49.35 72.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.161 1.384 . . . . 0.0 111.295 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.85 -51.06 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.296 1.839 . . . . 0.0 112.298 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -76.4 -33.8 58.85 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -142.19 77.71 17.69 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 125.225 1.41 . . . . 0.0 112.183 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.43 131.59 45.56 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.924 3.083 . . . . 0.0 113.972 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 17.4 mt -63.13 129.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.326 1.05 . . . . 0.0 108.725 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.67 142.6 58.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.549 0.69 . . . . 0.0 111.738 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 86.62 -86.83 1.55 Allowed Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.255 0.931 . . . . 0.0 111.033 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 58.2 m -141.41 136.55 31.49 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.012 1.725 . . . . 0.0 110.772 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 66.2 mtm-85 -74.71 123.26 24.6 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.579 . . . . 0.0 112.1 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -153.1 135.9 15.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.611 2.364 . . . . 0.0 109.881 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.31 108.36 18.38 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.697 0.68 . . . . 0.0 111.649 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.87 130.67 47.92 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.711 2.805 . . . . 0.0 109.28 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -136.95 163.41 30.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.019 1.327 . . . . 0.0 113.891 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.95 -141.35 36.95 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 127.146 2.308 . . . . 0.0 116.608 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.12 -40.49 32.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.386 1.475 . . . . 0.0 114.35 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -55.11 -30.12 59.07 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.925 0.89 . . . . 0.0 112.748 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -57.66 -62.1 2.04 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.02 0.928 . . . . 0.0 109.195 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.99 -43.68 73.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.314 1.046 . . . . 0.0 111.479 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -57.77 -49.33 76.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.997 0.919 . . . . 0.0 111.032 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.3 88.97 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.06 -43.84 77.71 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.505 1.122 . . . . 0.0 112.62 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.44 -31.7 69.53 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.54 -18.18 17.83 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.51 -60.71 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 112.062 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.27 0.4 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.422 2.689 . . . . 0.0 115.034 -176.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.388 0.137 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -147.8 140.4 14.67 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.465 1.506 . . . . 0.0 111.661 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.31 -38.27 91.46 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.027 2.484 . . . . 0.0 114.024 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -40.75 95.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.105 1.32 . . . . 0.0 111.706 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.61 -39.77 81.39 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.47 -0.769 . . . . 0.0 109.653 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -58.85 -50.19 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -51.56 -52.25 48.78 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.735 1.214 . . . . 0.0 111.198 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -56.34 -48.44 76.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.417 1.487 . . . . 0.0 111.928 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.18 -52.63 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.804 1.241 . . . . 0.0 109.85 176.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.48 -57.78 5.62 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.084 1.754 . . . . 0.0 112.372 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -57.62 -50.12 74.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.522 0.601 . . . . 0.0 111.983 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.18 -39.48 79.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.331 0.969 . . . . 0.0 113.111 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.42 -51.61 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 109.079 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.52 -51.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.437 1.095 . . . . 0.0 111.285 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.54 -46.39 80.68 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.92 0.888 . . . . 0.0 113.184 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.17 -45.86 91.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.977 0.911 . . . . 0.0 111.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.65 -47.94 80.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.436 0.694 . . . . 0.0 110.147 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.35 -52.0 64.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.144 0.978 . . . . 0.0 110.834 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.0 -43.88 4.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.31 1.844 . . . . 0.0 114.737 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -75.56 -48.15 23.65 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.59 -0.694 . . . . 0.0 111.724 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -57.32 -37.56 72.68 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.051 0.842 . . . . 0.0 112.874 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 t -56.79 -60.61 3.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 128.041 2.537 . . . . 0.0 111.546 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -60.11 -40.15 88.67 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.227 -0.92 . . . . 0.0 111.747 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -56.07 -53.06 61.48 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.34 1.056 . . . . 0.0 110.902 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -53.6 -49.02 68.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.907 2.483 . . . . 0.0 111.234 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.46 -51.79 68.01 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.332 1.453 . . . . 0.0 111.811 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.49 -49.72 72.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.863 1.265 . . . . 0.0 112.499 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.2 95.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.201 1.8 . . . . 0.0 113.502 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -136.47 -67.83 0.5 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.839 1.256 . . . . 0.0 112.602 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.76 0.98 Allowed Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.618 1.104 . . . . 0.0 112.133 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.48 173.74 11.2 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.159 1.384 . . . . 0.0 113.06 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.04 -44.87 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.088 1.755 . . . . 0.0 112.499 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -122.63 73.16 1.11 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.525 1.53 . . . . 0.0 111.417 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.47 -54.37 7.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.375 1.07 . . . . 0.0 109.781 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.09 177.48 8.91 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.095 1.758 . . . . 0.0 111.722 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 m -135.38 -50.11 0.73 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.638 1.575 . . . . 0.0 114.377 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -122.88 130.65 24.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.809 1.644 . . . . 0.0 111.696 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.72 -36.89 20.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.987 3.125 . . . . 0.0 114.5 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -55.61 -22.42 22.33 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.121 2.169 . . . . 0.0 114.18 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 10.9 t -53.93 -47.68 70.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.913 1.685 . . . . 0.0 110.201 173.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -39.71 68.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.081 1.352 . . . . 0.0 112.263 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -61.04 -52.15 66.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.703 0.801 . . . . 0.0 109.303 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.8 mmt -58.32 -38.37 76.98 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.356 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 46.1 mttp -60.18 -45.2 93.93 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.639 1.563 . . . . 0.0 111.61 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -59.45 -46.48 88.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.591 0.756 . . . . 0.0 110.193 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.0 -53.21 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.582 1.553 . . . . 0.0 110.569 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.38 -52.01 41.07 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.858 2.863 . . . . 0.0 111.639 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.73 -45.56 77.95 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.057 1.343 . . . . 0.0 111.881 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.42 -51.4 63.36 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.663 -0.648 . . . . 0.0 110.293 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.98 -49.57 5.98 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 128.265 2.626 . . . . 0.0 114.893 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 p -61.78 -50.74 71.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.871 0.868 . . . . 0.0 112.221 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -67.65 -42.82 81.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.962 1.705 . . . . 0.0 113.199 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.445 ' HB3' HH12 ' A' ' 68' ' ' ARG . 48.7 t -59.1 143.78 47.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.362 1.865 . . . . 0.0 112.547 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -130.58 -2.22 4.3 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.429 1.892 . . . . 0.0 113.09 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.63 65.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.13 1.372 . . . . 0.0 113.741 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.53 -99.79 0.11 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.375 1.464 . . . . 0.0 113.539 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -56.11 -42.37 76.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.637 1.575 . . . . 0.0 111.617 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 -16.9 58.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.985 1.714 . . . . 0.0 114.666 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.24 122.84 18.74 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.348 0.976 . . . . 0.0 111.249 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -68.67 -26.7 65.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.96 1.304 . . . . 0.0 113.303 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.21 116.66 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.925 1.29 . . . . 0.0 111.195 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.54 9.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.152 1.781 . . . . 0.0 112.514 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -58.34 -39.73 80.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.176 1.791 . . . . 0.0 113.803 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.2 t -59.29 -60.03 4.51 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.035 1.334 . . . . 0.0 110.013 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.95 61.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.617 1.167 . . . . 0.0 112.085 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.7 m -62.4 -59.19 5.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.599 1.56 . . . . 0.0 112.878 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -54.9 -42.96 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.827 1.651 . . . . 0.0 112.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.445 HH12 ' HB3' ' A' ' 53' ' ' CYS . 3.1 mtt85 -54.84 -48.78 72.43 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.365 -0.835 . . . . 0.0 110.424 173.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -55.58 33.29 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.943 1.697 . . . . 0.0 113.071 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -45.53 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.201 0.909 . . . . 0.0 112.462 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.62 -40.95 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.548 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -52.74 -50.96 62.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.374 0.67 . . . . 0.0 110.049 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.36 -61.84 2.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.206 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.407 ' CD1' ' HA ' ' A' ' 85' ' ' CYS . 4.8 t90 -48.94 -44.43 40.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -66.44 -49.83 65.4 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.453 1.101 . . . . 0.0 112.235 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.35 -39.87 92.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.034 1.333 . . . . 0.0 113.662 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.3 t -60.72 115.71 3.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.976 1.711 . . . . 0.0 112.843 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -130.65 19.49 5.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.476 2.31 . . . . 0.0 111.236 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -62.35 154.03 29.25 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.743 2.817 . . . . 0.0 112.148 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -49.72 -52.21 33.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.986 1.314 . . . . 0.0 110.45 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.66 137.25 16.86 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.352 1.461 . . . . 0.0 112.712 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.28 141.2 38.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.787 2.835 . . . . 0.0 105.14 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.72 -10.25 13.73 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.944 3.096 . . . . 0.0 117.185 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.2 t -128.16 -49.04 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 120.048 1.294 . . . . 0.0 111.509 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 8.3 m -54.88 -58.59 6.99 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.802 1.641 . . . . 0.0 112.55 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.86 -58.66 9.49 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.675 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -54.11 -44.01 53.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 122.527 1.938 . . . . 0.0 113.482 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.85 -48.51 81.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.82 1.248 . . . . 0.0 112.32 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -62.84 -49.74 73.72 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.856 1.263 . . . . 0.0 111.696 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.48 -43.45 88.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.048 1.739 . . . . 0.0 112.782 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.91 94.91 0.05 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.781 1.633 . . . . 0.0 112.617 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -162.36 151.52 15.47 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.076 2.15 . . . . 0.0 111.255 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.16 83.84 2.05 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.066 1.747 . . . . 0.0 108.367 176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -130.28 113.34 14.28 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.491 1.916 . . . . 0.0 110.688 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.868 2.067 . . . . 0.0 111.731 -179.489 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.518 0.199 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.27 145.78 55.78 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.563 1.145 . . . . 0.0 111.752 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 tp -66.43 -50.44 63.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.369 1.067 . . . . 0.0 113.512 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.46 25.4 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.428 0.691 . . . . 0.0 110.666 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 70.1 m -81.53 32.74 0.35 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.375 1.47 . . . . 0.0 112.986 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -47.16 -53.08 13.87 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.385 2.274 . . . . 0.0 113.69 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.6 74.45 1.45 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.652 1.981 . . . . 0.0 109.947 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 106' ' ' LEU . 12.3 mt -80.8 67.18 6.6 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.016 1.389 . . . . 0.0 108.627 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.88 22.47 0.02 OUTLIER Glycine 0 CA--C 1.538 1.469 0 C-N-CA 126.95 2.214 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -55.34 -55.27 33.47 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.134 1.467 . . . . 0.0 112.151 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 66.2 m -127.89 8.81 6.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.342 1.457 . . . . 0.0 112.489 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 47.4 mtp -66.41 -34.08 77.14 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.13 -44.31 69.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.315 1.446 . . . . 0.0 111.188 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.31 -49.41 69.58 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.362 1.865 . . . . 0.0 113.561 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.6 m -133.08 -42.31 0.89 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 114.638 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.09 -95.13 0.72 Allowed Glycine 0 N--CA 1.473 1.123 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.1 130.88 23.85 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.272 1.829 . . . . 0.0 108.473 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.43 -172.57 1.17 Allowed 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.985 3.123 . . . . 0.0 113.231 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.86 62.77 1.06 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.412 1.885 . . . . 0.0 108.364 171.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.43 169.71 11.9 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.495 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -140.15 169.83 16.97 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.105 0.962 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p -52.39 -50.29 62.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.84 1.256 . . . . 0.0 109.958 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -52.49 -61.97 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.534 1.533 . . . . 0.0 112.073 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -52.7 35.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.579 1.152 . . . . 0.0 111.962 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.23 -50.26 73.81 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.327 1.051 . . . . 0.0 112.424 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.39 -43.84 88.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.91 1.284 . . . . 0.0 111.916 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -59.63 -49.03 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.678 1.591 . . . . 0.0 111.549 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -74.76 -39.61 61.7 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -134.94 77.69 55.97 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.867 1.267 . . . . 0.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.33 125.44 19.17 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.023 3.149 . . . . 0.0 114.181 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.99 124.06 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.231 1.413 . . . . 0.0 108.688 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -59.61 138.74 57.63 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.695 0.759 . . . . 0.0 112.685 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 88.5 -78.91 1.7 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.874 1.226 . . . . 0.0 110.69 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 66.6 m -147.36 155.45 41.99 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.824 2.05 . . . . 0.0 111.21 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -65.45 142.44 58.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.964 0.905 . . . . 0.0 110.749 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -150.03 169.12 21.97 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.678 1.991 . . . . 0.0 110.867 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 30.2 mt -141.88 79.74 1.69 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.098 2.159 . . . . 0.0 107.74 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.39 132.95 10.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.098 2.559 . . . . 0.0 109.553 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 165.61 26.98 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.46 -145.66 27.12 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.472 1.987 . . . . 0.0 116.159 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.93 -33.8 57.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -57.29 -27.09 61.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.92 0.888 . . . . 0.0 112.433 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -62.11 2.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 108.532 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.44 -42.92 71.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.254 1.422 . . . . 0.0 110.844 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -55.92 -50.67 70.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.438 1.495 . . . . 0.0 110.947 173.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.21 94.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.5 1.12 . . . . 0.0 111.968 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.51 -38.84 91.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.713 1.205 . . . . 0.0 112.458 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.37 -32.14 73.62 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -56.66 -14.98 3.69 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.99 -39.91 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.315 1.846 . . . . 0.0 112.597 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.155 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -141.33 137.36 16.55 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.493 1.917 . . . . 0.0 110.415 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -58.67 -42.69 51.39 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.956 2.437 . . . . 0.0 113.412 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.36 -41.51 98.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.515 1.052 . . . . 0.0 111.857 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.81 -37.6 74.07 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.091 0.859 . . . . 0.0 110.808 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.43 -45.1 88.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.987 0.812 . . . . 0.0 110.553 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -55.45 -47.22 76.37 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.702 1.201 . . . . 0.0 111.197 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.83 -47.19 85.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.675 1.59 . . . . 0.0 111.15 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -59.41 -52.45 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.082 1.353 . . . . 0.0 110.027 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -46.73 -56.81 5.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.541 1.937 . . . . 0.0 112.477 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.52 -49.23 75.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.873 0.76 . . . . 0.0 112.385 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.76 -35.52 76.63 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.104 0.865 . . . . 0.0 112.778 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.01 -55.52 31.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.551 1.541 . . . . 0.0 108.626 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.93 -46.46 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.594 1.558 . . . . 0.0 111.89 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -57.52 -51.31 69.97 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.459 1.027 . . . . 0.0 112.127 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.43 -42.56 82.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.211 1.405 . . . . 0.0 111.997 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.33 -50.1 74.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.076 0.95 . . . . 0.0 110.682 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -54.13 -49.93 68.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.232 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.14 -55.04 2.73 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.663 1.585 . . . . 0.0 113.602 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.59 -39.26 64.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.143 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -53.53 -49.99 66.42 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.535 1.516 . . . . 0.0 110.167 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.3 t -57.48 -52.14 66.59 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.956 2.902 . . . . 0.0 110.637 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -56.01 -51.07 69.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.19 0.996 . . . . 0.0 111.708 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -53.33 -51.42 62.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.265 1.826 . . . . 0.0 110.507 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -55.18 -53.02 61.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.898 1.279 . . . . 0.0 110.848 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -54.95 -48.65 72.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.489 1.516 . . . . 0.0 112.116 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -58.92 -47.47 84.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.787 1.235 . . . . 0.0 111.521 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.77 -51.88 66.51 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.885 1.274 . . . . 0.0 111.982 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -145.85 114.15 6.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.266 1.826 . . . . 0.0 111.117 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.56 124.69 27.41 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.003 0.811 . . . . 0.0 112.59 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -142.71 140.37 31.48 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.812 1.645 . . . . 0.0 110.434 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -81.16 -59.08 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.369 1.468 . . . . 0.0 109.973 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.8 80.75 8.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.997 1.319 . . . . 0.0 110.211 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.33 -62.29 0.75 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 110.875 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.9 t -66.93 158.33 31.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.394 1.477 . . . . 0.0 112.352 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.2 p -135.5 -58.0 0.78 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.444 1.898 . . . . 0.0 112.836 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 mt -57.88 126.65 77.34 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.659 1.984 . . . . 0.0 111.767 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -66.07 -45.04 6.36 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.791 2.327 . . . . 0.0 112.521 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.76 -1.87 15.53 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.7 t -53.0 -46.55 68.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.028 0.931 . . . . 0.0 109.473 172.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -53.3 -47.39 69.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.794 1.638 . . . . 0.0 111.546 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -57.56 -52.64 64.59 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.438 1.095 . . . . 0.0 110.034 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.9 mmt -59.74 -40.82 89.35 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.483 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -57.8 -44.2 86.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.461 1.482 . . . . 0.0 111.386 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -61.28 -48.95 79.05 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.872 0.869 . . . . 0.0 110.401 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.0 t -55.31 -56.02 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.579 1.552 . . . . 0.0 110.273 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.03 -55.87 9.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.442 3.097 . . . . 0.0 111.941 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -51.11 -56.58 11.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.402 1.081 . . . . 0.0 110.786 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.32 -47.53 78.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.951 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -49.63 15.0 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.592 1.957 . . . . 0.0 112.918 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -45.3 94.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.825 0.85 . . . . 0.0 112.958 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -71.08 -45.53 63.56 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.424 1.09 . . . . 0.0 112.681 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.74 106.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.756 2.423 . . . . 0.0 111.902 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.69 -16.58 60.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.875 1.27 . . . . 0.0 113.883 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.53 -177.72 2.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.151 1.38 . . . . 0.0 112.722 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.26 -109.32 1.75 Allowed Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.706 1.622 . . . . 0.0 110.462 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.28 67.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.65 0.78 . . . . 0.0 112.829 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.38 71.35 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.96 121.38 11.67 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.653 1.115 . . . . 0.0 110.228 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.07 -23.91 67.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.168 1.387 . . . . 0.0 114.444 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 115.96 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.954 1.302 . . . . 0.0 109.648 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.09 -55.93 4.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.519 1.927 . . . . 0.0 113.637 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -63.78 -45.97 87.34 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.854 1.262 . . . . 0.0 113.35 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.13 -49.7 73.18 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.751 1.221 . . . . 0.0 110.758 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.65 -60.53 3.31 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.13 0.972 . . . . 0.0 110.306 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.7 m -55.85 -52.67 63.23 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.525 2.33 . . . . 0.0 115.545 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 p -51.78 -33.11 33.81 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.318 1.847 . . . . 0.0 115.149 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -58.9 -54.36 48.02 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.237 -0.914 . . . . 0.0 111.501 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.45 -51.02 66.31 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.388 0.994 . . . . 0.0 113.102 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -52.53 -43.37 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.24 0.927 . . . . 0.0 112.958 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.82 -42.27 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.653 0.781 . . . . 0.0 111.454 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 m -52.94 -48.3 67.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.443 1.097 . . . . 0.0 110.527 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.63 -63.31 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 109.601 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -49.92 -45.24 50.87 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -64.17 -44.13 93.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.01 -42.48 63.19 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.766 1.226 . . . . 0.0 113.466 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 128.67 38.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.898 1.679 . . . . 0.0 113.649 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -135.1 14.96 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.203 2.201 . . . . 0.0 111.228 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -62.62 135.31 57.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.263 2.225 . . . . 0.0 111.059 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -53.51 -39.0 64.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.816 1.646 . . . . 0.0 114.636 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -141.27 45.89 1.74 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.24 137.53 97.15 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -58.8 -15.39 26.33 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.029 3.153 . . . . 0.0 116.618 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 -51.66 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.606 1.093 . . . . 0.0 110.914 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 m -53.92 -49.42 68.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.312 1.845 . . . . 0.0 113.127 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.58 -62.36 4.64 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 116.942 -1.504 . . . . 0.0 112.487 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -57.33 -35.01 98.86 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.406 2.071 . . . . 0.0 113.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.3 -49.67 66.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.857 0.863 . . . . 0.0 111.578 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -60.91 -54.58 43.34 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.522 1.529 . . . . 0.0 111.536 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -134.22 101.14 4.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.472 1.909 . . . . 0.0 110.299 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.47 120.4 14.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.869 0.468 . . . . 0.0 110.613 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 m -56.01 118.31 4.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.429 1.492 . . . . 0.0 112.165 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.17 -38.13 89.93 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.556 0.742 . . . . 0.0 112.433 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -54.37 107.21 0.26 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.069 1.348 . . . . 0.0 110.975 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.329 1.852 . . . . 0.0 112.744 -178.08 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.503 0.192 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -144.96 128.01 16.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.633 1.573 . . . . 0.0 110.394 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.551 ' HG ' ' H ' ' B' ' 102' ' ' ALA . 12.8 tp -148.47 -157.0 0.77 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.665 1.586 . . . . 0.0 110.456 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.551 ' H ' ' HG ' ' B' ' 101' ' ' LEU . . . 57.61 -103.11 0.17 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.664 1.986 . . . . 0.0 108.388 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 95.9 m -87.42 71.76 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -50.19 123.05 7.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.992 1.317 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 75.7 mt 52.22 73.04 0.36 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.314 1.846 . . . . 0.0 110.909 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.07 -44.96 7.81 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.978 1.311 . . . . 0.0 112.396 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -37.05 -41.67 0.68 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 127.386 2.422 . . . . 0.0 114.513 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -44.82 -63.42 0.92 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.64 1.976 . . . . 0.0 112.327 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 50.1 m -79.03 -42.25 26.95 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.435 1.894 . . . . 0.0 112.022 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 86.4 mmm -51.73 -37.79 52.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.148 1.379 . . . . 0.0 112.792 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -55.98 -46.29 78.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.453 1.501 . . . . 0.0 112.575 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.47 -60.13 2.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.769 1.628 . . . . 0.0 112.305 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 33.6 m -66.23 -41.85 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 115.63 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.63 -112.23 4.81 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 -170.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -130.19 119.85 18.87 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.226 1.41 . . . . 0.0 108.36 170.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.21 174.13 13.34 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.245 2.63 . . . . 0.0 112.402 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -112.29 64.83 0.63 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.85 1.26 . . . . 0.0 108.728 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.19 167.46 16.18 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.764 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -136.99 170.04 16.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.342 1.057 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.0 p -52.63 -53.91 40.5 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.391 1.077 . . . . 0.0 109.689 173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -51.07 -57.29 9.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.647 1.579 . . . . 0.0 111.994 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -52.66 -51.09 61.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.642 0.656 . . . . 0.0 112.152 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.12 -49.11 77.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.738 0.815 . . . . 0.0 112.231 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.68 -41.57 73.91 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.195 1.398 . . . . 0.0 112.191 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 14.3 t -71.14 -52.72 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.857 2.063 . . . . 0.0 112.396 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -77.22 -31.19 55.0 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -174.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.34 70.44 67.93 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 124.593 1.157 . . . . 0.0 111.668 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.38 132.72 53.86 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.754 2.969 . . . . 0.0 113.557 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.5 mt -69.03 132.47 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.789 1.235 . . . . 0.0 108.927 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -59.9 140.09 56.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.201 0.6 . . . . 0.0 112.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 88.16 -82.78 1.53 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.686 1.136 . . . . 0.0 110.386 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 41.2 m -148.26 147.48 29.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.224 1.81 . . . . 0.0 110.819 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 79.9 mtt85 -66.62 116.08 7.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.559 0.744 . . . . 0.0 110.164 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -150.6 125.92 10.06 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.417 1.887 . . . . 0.0 109.065 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 36.3 mt -89.58 119.97 30.47 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 132.83 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 129.172 2.989 . . . . 0.0 109.276 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -131.1 163.61 27.28 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 47.45 -140.12 8.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.184 2.326 . . . . 0.0 116.404 174.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -55.84 -30.71 61.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.55 -31.34 62.06 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 118.278 -0.868 . . . . 0.0 112.064 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.57 -61.98 2.19 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.658 1.183 . . . . 0.0 107.831 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.7 -47.52 70.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.206 1.403 . . . . 0.0 111.301 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -54.3 -45.88 72.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.955 1.302 . . . . 0.0 111.23 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.15 65.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.43 1.092 . . . . 0.0 111.045 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.17 -43.38 82.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.061 0.944 . . . . 0.0 112.441 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.34 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.928 1.691 . . . . 0.0 115.107 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.18 -21.67 66.65 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.39 115.02 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.663 1.185 . . . . 0.0 109.604 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.83 1.252 . . . . 0.0 113.29 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.748 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -142.29 134.3 13.42 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.439 1.896 . . . . 0.0 110.637 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -61.09 -44.94 21.47 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.269 2.646 . . . . 0.0 113.669 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.64 -40.7 95.91 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.131 1.332 . . . . 0.0 111.519 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.75 -36.14 73.87 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.155 -0.966 . . . . 0.0 110.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -46.11 89.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.454 1.102 . . . . 0.0 109.902 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -56.0 -48.38 76.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.261 1.424 . . . . 0.0 111.007 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -57.43 -44.22 84.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.389 1.076 . . . . 0.0 110.858 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.81 -49.26 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.086 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -51.49 -52.23 48.43 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.669 1.122 . . . . 0.0 111.023 176.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -52.56 -59.52 4.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.802 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -57.59 -38.82 75.54 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -55.4 34.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.24 1.416 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.31 -51.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.182 1.393 . . . . 0.0 112.169 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.1 mt -56.13 -46.9 79.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.34 0.973 . . . . 0.0 112.253 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.36 -46.57 89.65 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.679 1.192 . . . . 0.0 112.689 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.5 -53.53 57.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.578 1.151 . . . . 0.0 110.306 176.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -54.64 -50.67 67.59 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 110.56 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -60.23 1.86 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.713 1.605 . . . . 0.0 113.245 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.33 -42.84 99.34 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.34 -0.85 . . . . 0.0 112.341 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -56.87 -43.45 81.23 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.296 1.038 . . . . 0.0 111.494 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t -66.93 -32.21 73.3 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.013 2.925 . . . . 0.0 112.556 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -53.15 -47.57 68.63 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.147 1.34 . . . . 0.0 110.366 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.98 -47.34 86.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.695 1.198 . . . . 0.0 110.776 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -54.42 -61.48 2.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.333 1.453 . . . . 0.0 111.847 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.01 -44.73 94.37 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -34.36 78.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.159 0.89 . . . . 0.0 112.199 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.74 12.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -149.65 115.93 5.76 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.596 1.558 . . . . 0.0 111.16 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.81 -177.43 48.11 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.092 0.853 . . . . 0.0 113.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -123.86 -170.21 2.09 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.659 1.984 . . . . 0.0 111.012 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.84 -41.02 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.791 1.637 . . . . 0.0 111.498 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -132.22 72.95 1.51 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.851 1.66 . . . . 0.0 108.907 175.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.01 -57.31 13.09 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.808 1.643 . . . . 0.0 112.979 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -71.89 146.11 48.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.165 1.386 . . . . 0.0 112.341 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -67.28 -41.1 86.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.068 1.347 . . . . 0.0 112.974 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.11 120.04 79.34 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.267 1.027 . . . . 0.0 110.109 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.09 -33.52 40.63 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.905 1.737 . . . . 0.0 110.393 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.39 -25.4 65.87 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.806 2.442 . . . . 0.0 113.77 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.78 -47.98 70.22 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.416 1.486 . . . . 0.0 109.518 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -57.69 -38.23 74.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.591 1.556 . . . . 0.0 112.543 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -62.47 -52.91 61.65 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.665 0.786 . . . . 0.0 109.524 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -39.03 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.541 0.609 . . . . 0.0 111.525 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -62.04 -44.2 97.21 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.801 1.241 . . . . 0.0 112.054 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -60.77 -49.01 79.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.801 0.84 . . . . 0.0 110.066 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.3 t -53.42 -54.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.933 1.693 . . . . 0.0 109.902 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.49 -55.29 16.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.279 2.632 . . . . 0.0 112.315 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -55.06 -43.02 73.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.637 1.175 . . . . 0.0 111.975 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -68.08 -48.22 66.13 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.303 0.641 . . . . 0.0 110.711 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -48.86 7.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.569 2.748 . . . . 0.0 114.845 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -61.05 -48.77 80.22 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 112.244 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -69.81 -50.85 38.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.023 1.729 . . . . 0.0 112.323 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.72 134.47 54.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.69 1.996 . . . . 0.0 112.213 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -117.19 -5.6 11.35 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.62 1.568 . . . . 0.0 112.593 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.66 60.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.706 1.603 . . . . 0.0 112.916 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.16 -99.43 0.11 Allowed Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.116 1.341 . . . . 0.0 113.191 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.56 -40.49 75.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 111.813 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.94 -17.51 58.85 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.549 1.54 . . . . 0.0 114.735 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.6 134.97 52.17 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.397 0.998 . . . . 0.0 111.055 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.6 -35.0 79.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.97 124.49 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.457 1.503 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.04 -62.02 2.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.304 1.042 . . . . 0.0 112.233 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -47.76 -37.43 13.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.665 2.386 . . . . 0.0 114.307 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.2 t -55.51 -48.94 73.84 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.054 2.142 . . . . 0.0 111.44 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.99 66.09 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.288 -0.882 . . . . 0.0 111.249 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -60.41 3.31 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.148 1.379 . . . . 0.0 112.22 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 p -50.61 -42.27 55.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.659 1.984 . . . . 0.0 114.415 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -61.86 -49.98 74.08 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.195 -0.941 . . . . 0.0 110.989 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -54.44 39.19 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.607 1.963 . . . . 0.0 112.665 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.53 -41.36 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.82 -41.34 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.897 0.771 . . . . 0.0 111.209 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -51.69 -47.1 64.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.908 0.776 . . . . 0.0 110.14 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -56.51 -65.86 0.54 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.617 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -51.36 -43.14 61.76 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -61.11 -52.16 66.06 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.375 1.07 . . . . 0.0 112.27 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.63 -40.21 63.93 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.164 1.386 . . . . 0.0 114.148 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 40.1 t -55.14 123.5 13.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.748 1.619 . . . . 0.0 111.952 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -124.35 13.83 8.9 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.926 1.69 . . . . 0.0 111.97 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 67.4 ttt180 -66.96 122.62 18.13 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.086 1.755 . . . . 0.0 109.665 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -69.77 1.51 4.25 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 4.6 p-10 -147.15 20.01 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.0 137.15 93.93 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 119.835 1.198 . . . . 0.0 108.79 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -54.51 -30.32 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.136 3.224 . . . . 0.0 116.533 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -51.72 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.382 0.992 . . . . 0.0 111.227 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.1 m -54.88 -52.58 62.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.234 1.814 . . . . 0.0 112.36 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.66 -61.09 4.67 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 117.049 -1.453 . . . . 0.0 113.085 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -56.67 -42.35 66.01 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.022 1.758 . . . . 0.0 112.316 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.84 -50.3 72.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 112.825 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.78 -50.49 73.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.362 . . . . 0.0 111.312 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -62.32 -40.97 98.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.036 1.735 . . . . 0.0 113.432 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.25 110.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.575 1.55 . . . . 0.0 112.698 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -135.27 110.85 9.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.827 1.651 . . . . 0.0 110.673 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -149.39 137.74 20.77 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.05 108.8 10.04 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.763 1.625 . . . . 0.0 110.141 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.208 1.803 . . . . 0.0 112.589 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.523 0.202 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.12 151.6 47.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.069 0.948 . . . . 0.0 112.355 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 tp -135.83 78.82 1.74 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.317 1.447 . . . . 0.0 109.754 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -171.08 -60.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 129.167 2.987 . . . . 0.0 108.128 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 84.8 m -133.65 64.71 1.6 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.045 2.538 . . . . 0.0 106.77 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -30.79 -56.48 0.21 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 128.505 2.722 . . . . 0.0 113.751 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.73 88.1 2.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.438 1.495 . . . . 0.0 107.811 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.21 -42.01 80.52 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.044 0.937 . . . . 0.0 110.562 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.63 -44.57 0.67 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 128.067 2.746 . . . . 0.0 114.398 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -40.16 -56.8 1.83 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.214 2.206 . . . . 0.0 112.76 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 64.8 m -87.78 -41.1 13.52 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.663 1.985 . . . . 0.0 112.225 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 98.2 mmm -51.64 -41.49 61.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.43 1.092 . . . . 0.0 112.333 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.1 -33.97 63.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.381 1.872 . . . . 0.0 114.507 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.81 -48.46 81.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.4 p -146.15 -0.32 0.79 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.86 -74.78 2.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 120.85 -1.156 . . . . 0.0 110.797 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -143.51 127.67 9.38 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.582 1.953 . . . . 0.0 110.186 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -82.37 -179.14 4.43 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.649 2.899 . . . . 0.0 112.171 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -128.41 64.44 1.42 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.345 1.858 . . . . 0.0 108.128 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.65 108.62 2.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.546 1.538 . . . . 0.0 109.53 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 48.3 p -72.7 170.75 13.89 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.553 0.692 . . . . 0.0 111.24 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -51.49 -51.66 53.19 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.523 1.129 . . . . 0.0 109.645 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -52.89 -57.29 10.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.355 1.862 . . . . 0.0 111.567 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -49.43 -54.18 18.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.042 0.937 . . . . 0.0 111.861 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.72 -57.16 14.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.1 -44.16 78.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.099 1.36 . . . . 0.0 112.983 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.72 -54.29 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.021 1.729 . . . . 0.0 112.434 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.87 -33.78 57.83 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.75 74.99 68.84 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 124.714 1.206 . . . . 0.0 112.602 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.2 163.19 10.39 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.504 3.47 . . . . 0.0 112.969 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 14.8 mt -112.67 135.49 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.658 1.183 . . . . 0.0 110.788 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -74.22 102.84 4.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.775 0.83 . . . . 0.0 111.51 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.79 -148.87 16.73 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 116.026 1.171 . . . . 0.0 116.026 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 56.1 p -68.23 -47.06 68.83 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.272 2.229 . . . . 0.0 116.572 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -54.82 144.63 21.97 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.354 1.061 . . . . 0.0 112.903 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -132.46 -67.04 0.67 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.896 1.678 . . . . 0.0 110.945 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.2 mt -119.21 107.44 13.44 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.113 0.965 . . . . 0.0 109.902 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 136.81 57.97 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.006 2.122 . . . . 0.0 109.544 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -124.16 158.38 32.47 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 41.81 -135.07 3.4 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 128.149 2.785 . . . . 0.0 117.639 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.92 -36.34 59.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.916 1.287 . . . . 0.0 113.954 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.54 -28.87 61.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.766 0.826 . . . . 0.0 112.233 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.51 -64.32 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.051 0.941 . . . . 0.0 108.648 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.81 -42.91 68.9 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.022 1.329 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.48 -50.55 72.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.885 1.274 . . . . 0.0 110.951 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.61 99.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.624 1.169 . . . . 0.0 112.044 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.98 -41.52 95.35 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.569 1.147 . . . . 0.0 112.528 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -60.03 -37.86 81.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -54.82 -13.41 1.05 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.1 -35.64 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.743 1.617 . . . . 0.0 112.137 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.113 1.365 . . . . 0.0 114.495 -177.748 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.374 0.131 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -143.97 138.37 14.99 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.624 1.57 . . . . 0.0 111.212 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.56 -40.67 63.76 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.977 2.451 . . . . 0.0 113.591 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.82 -40.08 91.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.689 1.131 . . . . 0.0 111.596 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.07 -38.02 78.44 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.536 -0.728 . . . . 0.0 110.375 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.66 -44.55 95.97 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.748 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.68 -49.96 69.39 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.642 1.11 . . . . 0.0 110.933 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.37 -45.94 87.26 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.39 1.476 . . . . 0.0 111.479 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.04 -51.31 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.729 1.212 . . . . 0.0 109.713 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -52.42 -49.33 64.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.524 1.13 . . . . 0.0 111.162 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -54.89 -53.88 49.72 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.725 1.21 . . . . 0.0 110.926 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -56.99 -44.11 82.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.197 0.999 . . . . 0.0 111.785 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.77 -54.98 37.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.982 1.713 . . . . 0.0 109.206 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.1 t -55.3 -55.95 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.173 1.389 . . . . 0.0 111.83 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 33.9 mt -58.54 -42.02 86.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.886 0.766 . . . . 0.0 112.938 -179.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.96 -49.56 74.25 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.165 0.893 . . . . 0.0 111.701 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.22 -49.05 75.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.249 0.619 . . . . 0.0 110.317 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -54.21 -52.04 62.53 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.436 1.094 . . . . 0.0 111.115 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.93 -50.29 10.6 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.535 1.516 . . . . 0.0 114.007 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -65.05 -48.28 74.37 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.389 -0.819 . . . . 0.0 111.7 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -54.55 -46.12 73.58 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.779 1.231 . . . . 0.0 110.916 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.4 -42.77 96.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 128.213 2.605 . . . . 0.0 111.44 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.59 -49.77 75.31 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.262 -0.899 . . . . 0.0 109.898 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -56.21 -48.85 75.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.421 1.089 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.57 -51.99 61.18 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.875 2.07 . . . . 0.0 111.137 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.26 -48.9 78.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.671 1.988 . . . . 0.0 111.531 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.97 -45.52 82.83 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.481 1.113 . . . . 0.0 111.103 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.76 45.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.855 1.262 . . . . 0.0 111.875 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -146.84 121.84 10.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.711 1.604 . . . . 0.0 112.434 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.85 152.38 12.27 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 126.295 1.902 . . . . 0.0 111.107 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.44 -91.84 0.13 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.063 0.945 . . . . 0.0 110.52 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.95 -45.02 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.552 1.141 . . . . 0.0 109.002 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.3 -179.44 6.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 128.453 2.701 . . . . 0.0 110.399 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.28 -63.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.691 1.997 . . . . 0.0 108.628 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.9 t -83.26 -179.94 7.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.765 1.626 . . . . 0.0 112.599 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 m -128.06 -30.66 2.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.288 2.235 . . . . 0.0 112.891 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.98 127.82 93.65 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.555 1.142 . . . . 0.0 111.186 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.4 -41.69 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.14 1.893 . . . . 0.0 109.945 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.98 -20.12 65.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.685 1.994 . . . . 0.0 114.571 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -61.77 -48.86 78.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.82 0.848 . . . . 0.0 109.187 174.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.36 -46.14 76.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.963 1.305 . . . . 0.0 110.208 173.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 m -54.55 -51.21 65.92 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.14 0.976 . . . . 0.0 110.496 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.433 ' HG3' ' HB3' ' A' ' 15' ' ' LEU . 32.7 mmt -60.58 -39.22 87.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.294 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -61.71 -42.0 98.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.489 1.495 . . . . 0.0 111.413 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.4 -47.62 85.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.571 0.748 . . . . 0.0 109.919 174.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.5 t -57.04 -48.62 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.485 1.514 . . . . 0.0 110.201 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.68 -51.4 60.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.154 2.182 . . . . 0.0 111.712 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -55.61 -54.14 47.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.265 1.026 . . . . 0.0 110.66 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -53.11 -51.06 63.12 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.128 0.971 . . . . 0.0 111.903 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.438 ' HE3' HD22 ' B' ' 141' ' ' LEU . 24.6 mtp -48.84 -43.49 38.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.89 1.676 . . . . 0.0 113.997 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -39.26 90.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.735 0.698 . . . . 0.0 112.625 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -74.97 -53.52 8.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.581 1.152 . . . . 0.0 112.018 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.4 144.91 56.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.051 1.74 . . . . 0.0 110.791 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -130.62 6.29 4.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.827 1.651 . . . . 0.0 112.239 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.19 -67.57 0.75 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.475 1.11 . . . . 0.0 112.449 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.02 -72.25 1.37 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.514 1.055 . . . . 0.0 112.869 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -59.48 -55.08 39.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.05 1.74 . . . . 0.0 111.309 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.65 -19.28 45.65 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.545 1.538 . . . . 0.0 114.659 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.34 127.95 33.75 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.866 0.841 . . . . 0.0 111.152 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -65.84 -30.54 71.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.12 1.368 . . . . 0.0 113.149 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.94 116.94 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.155 1.382 . . . . 0.0 110.82 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.01 -51.93 38.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.722 1.609 . . . . 0.0 112.062 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -61.09 -38.07 84.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 117.274 -1.346 . . . . 0.0 113.63 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.22 -54.83 42.39 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 120.829 1.65 . . . . 0.0 110.127 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.55 70.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.271 1.028 . . . . 0.0 112.393 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -69.07 -56.39 7.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.046 1.738 . . . . 0.0 114.135 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 p -50.6 -49.34 56.76 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.213 2.205 . . . . 0.0 113.646 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -55.61 -45.04 77.55 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.203 -0.936 . . . . 0.0 110.458 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -55.62 32.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.298 1.839 . . . . 0.0 112.35 176.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 pt -54.42 -43.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.173 0.897 . . . . 0.0 112.264 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.05 -39.65 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.431 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.4 m -53.13 -51.02 63.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.702 1.137 . . . . 0.0 109.934 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.36 -63.66 1.12 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 123.623 0.769 . . . . 0.0 110.07 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -51.53 -41.29 60.93 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.56 -53.59 39.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.381 0.672 . . . . 0.0 112.037 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.35 -34.98 77.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.894 1.278 . . . . 0.0 114.257 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.36 129.35 39.54 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.291 1.437 . . . . 0.0 112.942 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 p -126.63 2.75 6.81 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.523 2.329 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 68.0 ttt180 -57.55 124.69 19.88 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.231 1.812 . . . . 0.0 110.258 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.47 5.97 6.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.176 1.39 . . . . 0.0 114.205 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 4.1 p-10 -148.28 19.92 1.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.469 1.508 . . . . 0.0 114.573 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.6 137.05 96.35 Favored Pre-proline 0 CA--C 1.552 1.053 0 CA-C-N 119.468 1.031 . . . . 0.0 108.311 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -59.5 -9.51 9.11 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.949 3.099 . . . . 0.0 116.106 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.78 -54.22 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 119.733 1.151 . . . . 0.0 110.36 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -56.13 -38.9 71.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.091 1.756 . . . . 0.0 112.878 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.91 -62.57 4.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-O 117.195 -1.383 . . . . 0.0 111.574 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -55.97 -40.49 84.68 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 122.081 1.779 . . . . 0.0 112.613 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.72 -46.55 88.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.966 -1.084 . . . . 0.0 112.701 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -69.26 -40.09 78.02 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.839 1.199 . . . . 0.0 112.616 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -142.4 103.14 4.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.924 1.29 . . . . 0.0 114.082 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.55 100.94 2.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.799 2.04 . . . . 0.0 106.61 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.5 m -41.02 105.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.914 2.086 . . . . 0.0 114.227 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.51 132.65 15.35 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.164 2.186 . . . . 0.0 110.186 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -142.26 142.48 32.59 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.408 1.883 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.305 1.442 . . . . 0.0 111.952 177.795 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.42 -57.35 0.32 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.971 1.309 . . . . 0.0 112.747 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -132.72 -70.59 0.54 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.522 1.529 . . . . 0.0 109.104 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.79 79.93 0.49 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.961 2.104 . . . . 0.0 106.29 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 95.9 m 45.45 53.21 8.5 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.997 1.319 . . . . 0.0 110.699 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -21.26 116.95 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 129.373 3.069 . . . . 0.0 114.059 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.7 mt 63.64 80.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.176 2.19 . . . . 0.0 110.019 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.44 104.21 0.09 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.745 1.618 . . . . 0.0 109.436 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.29 -44.63 0.72 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.429 1.49 . . . . 0.0 111.507 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -47.55 -61.05 2.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.849 1.66 . . . . 0.0 112.706 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 17.3 p -74.72 -44.04 52.02 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.44 1.496 . . . . 0.0 112.312 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 76.6 mtp -47.52 -41.09 20.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.741 2.016 . . . . 0.0 113.073 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -49.8 -35.91 24.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.736 2.014 . . . . 0.0 114.273 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.23 -37.52 87.78 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.7 m -135.35 -14.23 1.99 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.61 -108.47 2.53 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.7 126.98 24.93 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.478 1.511 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -82.32 176.97 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.226 2.617 . . . . 0.0 112.95 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -118.55 63.03 0.77 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.533 1.533 . . . . 0.0 108.76 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.16 168.45 15.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.907 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.4 p -138.74 168.31 20.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.316 1.047 . . . . 0.0 110.5 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 10.9 p -53.64 -50.65 65.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.439 1.095 . . . . 0.0 109.461 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.09 -58.63 5.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.077 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.14 -50.7 66.35 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.667 0.667 . . . . 0.0 112.06 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.43 -48.67 80.76 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.081 0.952 . . . . 0.0 111.976 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.43 -48.76 76.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.217 1.407 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.55 -49.93 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.176 1.79 . . . . 0.0 112.083 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -74.12 -39.96 62.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.65 76.84 47.06 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.59 1.156 . . . . 0.0 111.993 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -55.4 136.27 72.94 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.033 3.155 . . . . 0.0 114.414 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 25.7 mt -71.11 137.67 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.128 1.771 . . . . 0.0 108.828 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -63.31 132.48 51.71 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.195 0.907 . . . . 0.0 110.622 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.98 -142.1 24.99 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.47 1.034 . . . . 0.0 111.222 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.4 m -72.21 140.18 48.57 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.985 0.914 . . . . 0.0 111.303 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.62 143.4 57.62 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -149.74 164.72 34.49 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.833 1.653 . . . . 0.0 111.235 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.0 mt -127.23 90.02 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.714 2.006 . . . . 0.0 107.611 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 126.87 15.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.341 2.256 . . . . 0.0 109.184 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -146.02 159.56 43.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.27 -147.11 49.74 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.107 1.813 . . . . 0.0 114.363 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -50.44 -38.03 41.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.569 1.148 . . . . 0.0 113.761 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.8 -33.44 56.03 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.708 1.203 . . . . 0.0 112.87 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.438 HD22 ' HE3' ' A' ' 50' ' ' MET . 39.3 mt -54.81 -61.12 2.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.084 0.954 . . . . 0.0 109.129 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.3 -43.43 83.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.436 1.094 . . . . 0.0 111.346 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -56.61 -50.28 72.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.989 0.916 . . . . 0.0 110.934 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.9 93.32 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.836 1.255 . . . . 0.0 111.935 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.11 -41.96 80.98 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.54 1.136 . . . . 0.0 112.983 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.42 -38.04 73.71 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.79 -17.42 0.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.42 -38.78 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.091 1.356 . . . . 0.0 111.823 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -141.07 117.55 7.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.112 1.765 . . . . 0.0 110.908 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.2 -41.55 21.9 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.16 3.24 . . . . 0.0 114.392 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.48 -48.46 81.54 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.157 0.983 . . . . 0.0 111.397 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.76 -32.54 71.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.091 0.956 . . . . 0.0 111.605 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -62.63 -38.88 91.97 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.562 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.12 -48.6 79.7 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.675 1.125 . . . . 0.0 110.691 173.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -55.78 -50.91 69.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.064 1.345 . . . . 0.0 110.444 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.25 -51.36 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.437 1.895 . . . . 0.0 110.973 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -49.41 -51.67 33.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.473 1.509 . . . . 0.0 110.847 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -56.88 -58.34 8.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.277 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -50.05 -46.54 53.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.773 1.229 . . . . 0.0 113.157 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.6 -57.76 10.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.783 2.033 . . . . 0.0 109.935 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.02 -46.29 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 112.416 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.8 mt -58.86 -45.26 90.54 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.795 1.18 . . . . 0.0 111.935 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.39 -44.58 92.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.42 1.088 . . . . 0.0 111.39 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.61 -47.52 81.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.831 0.853 . . . . 0.0 110.241 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -53.46 -50.07 66.06 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.507 1.123 . . . . 0.0 110.778 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.41 -55.62 4.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.03 1.332 . . . . 0.0 112.546 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -65.12 -49.96 67.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.315 0.646 . . . . 0.0 112.342 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.28 -51.63 32.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.829 1.652 . . . . 0.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.87 -56.26 23.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.569 2.748 . . . . 0.0 110.989 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.48 -46.11 66.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 111.559 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -59.33 -57.56 12.49 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.856 1.663 . . . . 0.0 110.949 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -50.95 -53.32 34.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.228 1.811 . . . . 0.0 111.711 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.2 -48.3 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.02 1.328 . . . . 0.0 112.677 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.5 -46.95 86.1 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.11 0.964 . . . . 0.0 111.921 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -69.72 0.23 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.032 1.333 . . . . 0.0 111.45 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -170.94 118.35 0.49 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.722 2.009 . . . . 0.0 110.708 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.75 84.07 1.58 Allowed Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.43 -58.65 6.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.244 1.418 . . . . 0.0 111.67 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.68 139.78 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 128.331 2.652 . . . . 0.0 107.077 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 124.96 20.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.559 0.618 . . . . 0.0 110.819 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.4 -37.59 4.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.231 1.413 . . . . 0.0 111.814 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.78 115.31 2.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.134 1.774 . . . . 0.0 110.81 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.1 m -135.12 30.13 3.33 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.317 1.847 . . . . 0.0 111.629 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.2 mt -129.75 119.6 19.19 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 126.779 2.031 . . . . 0.0 109.646 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.67 -39.75 19.8 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.475 2.117 . . . . 0.0 112.343 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -71.01 -6.35 38.25 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.508 1.923 . . . . 0.0 115.698 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -51.28 -53.4 36.11 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.267 1.427 . . . . 0.0 110.372 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.86 -42.31 71.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.386 1.474 . . . . 0.0 112.048 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -59.9 -50.47 73.65 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 110.062 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.7 mmt -61.58 -37.12 82.68 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.527 -0.733 . . . . 0.0 112.347 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -59.37 -41.84 90.26 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.308 1.413 . . . . 0.0 111.231 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.37 -48.51 79.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.838 0.855 . . . . 0.0 110.31 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.65 -56.26 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.068 1.347 . . . . 0.0 109.845 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.87 -55.81 7.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.871 2.868 . . . . 0.0 111.865 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -52.25 -55.83 18.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.171 0.988 . . . . 0.0 111.038 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -55.35 -48.54 74.08 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.421 0.688 . . . . 0.0 111.318 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -45.97 30.62 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.15 2.18 . . . . 0.0 113.535 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -42.69 99.84 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.702 0.801 . . . . 0.0 112.857 178.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -72.83 -50.6 23.07 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.301 1.04 . . . . 0.0 112.273 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.14 140.04 58.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.211 1.804 . . . . 0.0 112.143 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -125.49 -6.03 7.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.989 1.716 . . . . 0.0 113.394 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.94 62.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.143 1.377 . . . . 0.0 112.147 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.83 -87.83 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.289 1.423 . . . . 0.0 113.759 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -55.83 -50.29 70.96 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 0.0 112.045 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.6 -17.57 59.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.976 1.711 . . . . 0.0 115.26 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.96 128.01 33.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.342 0.974 . . . . 0.0 110.804 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.1 -32.51 73.91 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.12 1.368 . . . . 0.0 113.432 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -67.13 116.98 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.819 1.248 . . . . 0.0 110.059 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.16 -56.38 9.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.338 1.455 . . . . 0.0 112.229 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -57.91 -44.1 86.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.241 -1.361 . . . . 0.0 113.492 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 54.1 t -54.86 -52.26 63.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.507 1.503 . . . . 0.0 110.55 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.73 -59.09 5.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.738 0.815 . . . . 0.0 110.912 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -58.99 -54.48 46.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.121 2.169 . . . . 0.0 116.035 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 p -48.97 -34.34 12.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.859 2.063 . . . . 0.0 115.1 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.08 -39.83 95.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.832 -1.167 . . . . 0.0 112.107 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -51.26 58.39 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.208 0.913 . . . . 0.0 111.783 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.4 pt -52.34 -42.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.095 0.861 . . . . 0.0 112.17 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.45 -45.02 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.836 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.2 m -51.4 -50.8 58.92 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.884 0.766 . . . . 0.0 110.407 174.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.59 -66.9 0.32 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.471 1.508 . . . . 0.0 110.947 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -52.51 -44.96 66.05 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.825 1.193 . . . . 0.0 113.946 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.87 -45.83 82.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.787 1.235 . . . . 0.0 112.364 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -79.99 -41.09 26.57 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.4 t -58.94 138.72 57.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.583 1.553 . . . . 0.0 113.419 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -134.49 10.82 3.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.13 2.172 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -61.7 127.56 32.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.358 1.463 . . . . 0.0 111.903 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -62.06 -15.49 45.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.147 1.779 . . . . 0.0 115.349 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -142.96 28.46 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.17 138.69 97.5 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.37 -3.88 5.84 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.92 3.08 . . . . 0.0 116.566 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.85 -47.82 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.601 1.091 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 m -56.07 -49.09 74.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.075 1.75 . . . . 0.0 112.173 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.35 -61.45 4.52 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.246 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -57.74 -42.86 55.23 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.387 2.058 . . . . 0.0 112.633 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.0 mt -57.03 -51.48 69.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.236 1.015 . . . . 0.0 111.692 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.78 -47.53 85.31 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.814 1.645 . . . . 0.0 111.537 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.72 -49.3 75.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.93 1.292 . . . . 0.0 111.307 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.33 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.494 1.118 . . . . 0.0 111.988 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 m -67.24 88.31 0.18 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.523 1.929 . . . . 0.0 113.367 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.92 101.51 4.76 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.919 1.688 . . . . 0.0 110.427 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.5 125.39 23.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.905 1.282 . . . . 0.0 111.826 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.772 1.629 . . . . 0.0 112.46 179.198 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.383 0.135 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.29 133.24 51.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.066 0.946 . . . . 0.0 110.648 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.37 -52.66 63.69 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.396 1.079 . . . . 0.0 112.368 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.48 -55.41 7.93 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.123 0.969 . . . . 0.0 111.255 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 10.7 m -77.28 30.15 0.14 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -62.37 -14.72 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.081 1.752 . . . . 0.0 113.865 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.4 mt -31.33 112.37 0.09 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 129.689 3.196 . . . . 0.0 114.615 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.58 -48.92 52.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.64 57.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 C-N-CA 128.894 3.14 . . . . 0.0 109.034 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -35.43 -56.92 0.63 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.206 2.202 . . . . 0.0 114.315 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 17.4 m -123.06 8.93 9.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.035 1.734 . . . . 0.0 112.243 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.97 -39.12 72.69 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.153 0.981 . . . . 0.0 110.18 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.58 -43.88 98.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.502 1.521 . . . . 0.0 110.779 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.44 -54.89 21.91 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.887 1.675 . . . . 0.0 113.077 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.6 m -142.68 -36.93 0.38 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.4 -76.27 0.31 Allowed Glycine 0 N--CA 1.473 1.124 0 N-CA-C 107.725 -2.15 . . . . 0.0 107.725 -173.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 mt -133.89 140.54 36.74 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 127.435 2.294 . . . . 0.0 108.793 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -82.18 173.19 11.09 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.898 2.399 . . . . 0.0 113.289 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.17 65.41 0.73 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.54 1.536 . . . . 0.0 108.108 172.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.61 170.81 11.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.381 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.9 p -137.26 170.69 15.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.185 1.394 . . . . 0.0 109.347 176.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.7 p -56.71 -50.14 73.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.646 0.778 . . . . 0.0 109.714 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -51.95 -55.23 21.6 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.073 1.749 . . . . 0.0 111.938 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -52.15 -50.62 61.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.69 0.796 . . . . 0.0 111.798 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 76.2 m -61.02 -51.08 70.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.538 1.135 . . . . 0.0 112.203 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.22 -48.79 70.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.686 1.194 . . . . 0.0 111.805 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.42 -53.99 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.579 1.952 . . . . 0.0 112.701 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -74.81 -36.31 62.46 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.43 76.63 78.53 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.634 1.174 . . . . 0.0 111.682 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.67 135.57 71.22 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.71 2.94 . . . . 0.0 112.521 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.43 125.66 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.417 1.087 . . . . 0.0 108.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -59.8 -42.41 93.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 114.387 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -105.23 178.76 23.64 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.774 1.655 . . . . 0.0 113.811 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -74.68 68.52 1.68 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.439 1.495 . . . . 0.0 114.329 -176.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -141.09 167.4 22.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.817 2.847 . . . . 0.0 109.223 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -149.08 -46.49 0.14 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.085 0.954 . . . . 0.0 111.37 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.7 mt -128.61 157.99 39.73 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.472 1.909 . . . . 0.0 109.59 173.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.73 143.23 50.1 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.254 2.622 . . . . 0.0 108.447 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.989 -1.069 . . . . 0.0 113.449 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.78 -147.15 33.77 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.298 1.904 . . . . 0.0 115.564 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.42 -30.76 61.06 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.52 -29.04 61.42 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.333 0.969 . . . . 0.0 111.997 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.02 -64.13 1.06 Allowed 'General case' 0 C--N 1.344 0.355 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 mt -54.11 -45.85 71.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 111.521 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -54.05 -48.06 70.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.02 175.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.29 89.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.132 0.973 . . . . 0.0 111.865 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.35 -45.62 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.41 1.004 . . . . 0.0 112.585 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.51 -24.39 65.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.86 -24.32 61.96 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -64.62 118.73 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.388 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -140.99 117.36 7.54 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.367 1.867 . . . . 0.0 110.741 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -46.07 -44.28 19.41 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.075 3.183 . . . . 0.0 114.379 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.33 -43.9 92.67 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.538 0.735 . . . . 0.0 112.159 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -60.47 -36.98 79.56 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.439 -0.788 . . . . 0.0 110.979 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.06 -44.76 96.89 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.242 0.928 . . . . 0.0 110.979 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -54.42 -46.19 73.15 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.277 1.031 . . . . 0.0 111.173 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.26 -49.86 70.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.015 1.326 . . . . 0.0 111.061 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.97 -48.39 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.378 1.471 . . . . 0.0 110.385 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -51.51 -52.88 43.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.102 1.361 . . . . 0.0 111.087 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.66 -56.08 20.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.031 0.932 . . . . 0.0 110.698 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -57.33 -40.16 77.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.05 -56.31 22.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.207 1.403 . . . . 0.0 108.925 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.34 -50.74 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.339 1.455 . . . . 0.0 112.48 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.85 -45.34 86.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.309 0.959 . . . . 0.0 112.346 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.28 -45.75 92.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.394 1.078 . . . . 0.0 112.176 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.01 -50.17 74.77 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.157 0.983 . . . . 0.0 110.179 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.15 -51.65 67.22 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.994 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.94 -50.9 5.76 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.535 1.934 . . . . 0.0 113.641 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -65.87 -45.48 81.98 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.854 -1.154 . . . . 0.0 112.16 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' B' ' 146' ' ' ASP . 5.6 mptp? -55.95 -42.76 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.645 0.657 . . . . 0.0 111.608 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -53.03 -48.76 67.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.888 2.475 . . . . 0.0 111.166 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.48 -53.15 40.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.168 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -61.44 -51.54 68.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.643 1.177 . . . . 0.0 111.388 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.66 -47.64 70.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.571 1.948 . . . . 0.0 111.682 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -55.02 40.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.548 1.939 . . . . 0.0 111.094 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -59.55 -47.04 87.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.754 1.222 . . . . 0.0 112.232 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.21 70.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.414 1.486 . . . . 0.0 112.104 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -63.92 -48.04 78.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 0.0 112.1 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.5 68.33 1.34 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.381 1.467 . . . . 0.0 112.435 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.7 147.02 32.51 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.315 1.446 . . . . 0.0 111.059 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.69 -46.93 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.459 1.503 . . . . 0.0 111.088 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -135.63 79.76 1.8 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.865 2.066 . . . . 0.0 110.557 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.04 96.19 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.039 1.336 . . . . 0.0 112.421 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.5 t -74.49 -179.7 4.17 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.247 1.819 . . . . 0.0 113.671 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -133.18 -33.5 1.13 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.748 2.019 . . . . 0.0 114.396 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.27 125.62 91.32 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 119.097 0.862 . . . . 0.0 110.492 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.49 -37.9 16.0 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.336 2.024 . . . . 0.0 110.785 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -57.43 -31.59 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.413 2.285 . . . . 0.0 113.29 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 t -52.71 -42.76 65.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.651 1.98 . . . . 0.0 111.938 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -52.34 -49.62 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.356 1.463 . . . . 0.0 110.795 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m -57.45 -56.18 25.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.65 1.18 . . . . 0.0 110.308 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -42.09 77.8 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.75 0.704 . . . . 0.0 112.732 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.4 mtmm -62.89 -44.55 95.81 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.805 1.184 . . . . 0.0 112.141 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.21 -47.43 86.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.569 0.748 . . . . 0.0 110.376 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.2 t -54.49 -57.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.317 1.847 . . . . 0.0 109.754 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.57 -54.08 12.76 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.007 2.523 . . . . 0.0 112.235 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.6 -42.12 70.75 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.726 1.211 . . . . 0.0 112.477 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -71.44 -48.37 49.93 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.612 -0.68 . . . . 0.0 110.494 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.2 ttm -43.56 -44.51 6.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.284 2.634 . . . . 0.0 114.64 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -63.12 -50.28 71.1 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.617 1.167 . . . . 0.0 111.99 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.93 -33.69 72.49 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.072 1.749 . . . . 0.0 112.969 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.13 140.45 52.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.798 2.039 . . . . 0.0 112.533 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -131.43 -9.57 3.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.714 2.006 . . . . 0.0 113.107 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.6 74.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.681 1.192 . . . . 0.0 112.53 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.39 -110.87 3.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.636 1.112 . . . . 0.0 112.756 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.21 -38.41 90.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.509 1.124 . . . . 0.0 111.392 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.17 -14.53 62.68 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.306 1.842 . . . . 0.0 115.553 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.85 124.99 22.08 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 0.0 110.767 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -64.49 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.893 1.277 . . . . 0.0 113.29 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.82 113.81 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 109.832 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.82 -56.55 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.267 1.827 . . . . 0.0 112.662 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -57.87 -46.63 84.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.728 1.611 . . . . 0.0 113.221 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.9 t -57.67 -58.02 10.17 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.453 1.501 . . . . 0.0 111.245 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.31 -47.88 62.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.495 1.118 . . . . 0.0 111.178 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -65.72 -53.91 34.37 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.895 2.078 . . . . 0.0 114.897 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -51.31 -31.27 21.01 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.492 1.917 . . . . 0.0 115.015 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -60.45 -42.77 96.82 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.045 -1.034 . . . . 0.0 112.093 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -51.93 66.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.784 1.174 . . . . 0.0 112.81 177.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.44 -43.39 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.068 0.849 . . . . 0.0 112.553 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.56 -42.26 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.277 0.631 . . . . 0.0 111.133 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -52.59 -47.74 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.535 0.734 . . . . 0.0 110.723 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.29 -62.56 1.68 Allowed 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.455 1.102 . . . . 0.0 110.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -51.9 -40.64 61.02 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -63.72 -54.76 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 111.658 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 -45.07 80.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.544 1.538 . . . . 0.0 113.981 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.8 t -60.38 133.1 55.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.487 1.915 . . . . 0.0 113.447 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 p -135.14 16.16 3.49 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.409 2.284 . . . . 0.0 111.884 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -62.05 134.76 57.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 111.05 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -57.1 -31.27 65.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.631 1.572 . . . . 0.0 114.765 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -143.74 40.45 1.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.84 137.23 97.04 Favored Pre-proline 0 CA--C 1.558 1.254 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.5 -16.73 37.35 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.14 3.227 . . . . 0.0 117.405 -174.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.44 -48.4 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.694 1.134 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 m -54.67 -53.64 52.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.729 1.612 . . . . 0.0 112.031 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.1 -60.44 6.77 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.697 -1.621 . . . . 0.0 113.183 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.89 -43.04 61.65 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.277 1.849 . . . . 0.0 112.837 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.82 -54.0 51.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.84 0.856 . . . . 0.0 111.873 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -55.89 -51.73 66.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 111.448 177.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.45 -48.11 72.11 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.301 1.44 . . . . 0.0 111.232 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.45 77.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.467 1.107 . . . . 0.0 111.579 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 m -57.37 -46.15 83.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.339 1.856 . . . . 0.0 113.135 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.61 139.9 55.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.288 1.435 . . . . 0.0 112.866 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -129.03 -68.78 0.73 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.903 1.681 . . . . 0.0 110.918 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 127.89 2.476 . . . . 0.0 111.326 179.514 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.57 0.224 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -147.99 163.63 36.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.036 1.735 . . . . 0.0 111.157 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.8 tp -112.98 -43.42 3.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.6 1.96 . . . . 0.0 112.097 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.28 -57.62 10.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.728 1.211 . . . . 0.0 112.229 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.18 69.95 1.41 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.22 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.594 ' H ' ' HD3' ' B' ' 104' ' ' ARG . 0.0 OUTLIER -46.88 -38.83 11.03 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.943 1.697 . . . . 0.0 111.946 176.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -115.11 79.11 1.23 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.241 1.817 . . . . 0.0 108.377 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.96 -33.83 65.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.955 0.902 . . . . 0.0 110.828 175.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -45.75 -31.16 3.79 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 127.64 2.543 . . . . 0.0 115.028 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -44.29 -57.58 3.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.584 1.954 . . . . 0.0 112.74 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 54.5 m -82.45 -23.02 34.99 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.367 1.467 . . . . 0.0 112.857 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 49.8 mtt -67.4 -35.91 80.23 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.283 -0.885 . . . . 0.0 110.588 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.5 -43.09 99.66 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.565 1.546 . . . . 0.0 110.857 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.42 -52.56 52.49 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.821 1.648 . . . . 0.0 112.859 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 m -138.2 -33.53 0.68 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -176.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.38 -76.92 0.85 Allowed Glycine 0 N--CA 1.475 1.241 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 12.4 mt -135.98 120.36 12.98 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 125.829 1.651 . . . . 0.0 108.795 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -81.41 175.73 9.33 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.192 2.595 . . . . 0.0 113.128 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -123.45 67.51 1.01 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.26 1.824 . . . . 0.0 107.73 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.16 169.91 9.48 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.297 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 58.0 p -136.54 164.41 28.24 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.141 0.976 . . . . 0.0 109.984 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -54.48 -49.64 69.62 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.388 0.675 . . . . 0.0 109.98 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.89 -56.04 18.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.489 1.516 . . . . 0.0 111.815 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -53.52 -49.59 67.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.503 0.721 . . . . 0.0 111.653 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -50.47 73.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.07 0.948 . . . . 0.0 112.054 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.93 -37.71 71.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.926 1.291 . . . . 0.0 112.792 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.67 -52.36 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.567 1.947 . . . . 0.0 111.978 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.99 -40.27 63.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.74 1.216 . . . . 0.0 114.263 -175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.28 72.5 81.08 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.496 1.118 . . . . 0.0 111.399 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.52 129.66 27.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.246 3.297 . . . . 0.0 114.476 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 27.7 mt -69.77 124.14 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.64 142.11 57.38 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.573 0.701 . . . . 0.0 112.863 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.67 -76.78 1.97 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.804 1.192 . . . . 0.0 110.172 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -149.66 154.1 38.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.513 1.925 . . . . 0.0 110.802 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -64.14 140.22 58.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.357 0.663 . . . . 0.0 110.209 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -144.78 173.2 12.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.049 1.74 . . . . 0.0 111.758 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 19.5 mt -138.63 80.78 1.81 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.352 2.261 . . . . 0.0 108.891 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 117.3 4.56 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -143.58 167.03 23.2 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -173.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.48 -146.14 46.82 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.472 1.51 . . . . 0.0 114.291 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.35 -34.88 59.3 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.156 0.978 . . . . 0.0 112.881 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -54.04 -34.09 59.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.815 1.246 . . . . 0.0 112.165 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.92 -64.16 0.95 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.174 0.99 . . . . 0.0 108.851 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.67 -43.36 68.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.955 1.302 . . . . 0.0 111.526 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -57.01 -51.39 69.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.668 1.187 . . . . 0.0 110.98 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.53 72.95 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.896 1.278 . . . . 0.0 111.837 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 73.3 mt -55.6 -46.71 77.26 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.7 1.2 . . . . 0.0 111.661 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' ASP . . . . . 0.442 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 25.1 t70 -66.06 -17.65 64.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -176.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.2 -24.1 67.02 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.663 1.119 . . . . 0.0 113.325 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.63 123.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.252 0 O-C-N 121.031 -1.043 . . . . 0.0 113.1 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.516 0.198 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -145.85 138.16 13.58 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.502 1.521 . . . . 0.0 111.992 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -62.93 -37.16 55.93 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.645 2.897 . . . . 0.0 114.043 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.93 -53.14 58.67 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.2 -39.47 63.73 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.777 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -59.32 -51.5 69.69 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 110.377 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -60.3 -39.49 87.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.117 0.967 . . . . 0.0 112.355 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.87 -47.32 86.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.926 1.29 . . . . 0.0 110.281 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.13 -51.35 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.459 1.503 . . . . 0.0 109.833 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.55 -50.73 52.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.164 1.386 . . . . 0.0 111.358 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -56.69 -58.59 7.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.671 1.188 . . . . 0.0 110.527 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -50.4 -44.04 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.94 1.296 . . . . 0.0 112.466 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.52 -58.25 8.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.021 1.729 . . . . 0.0 110.225 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.88 -42.94 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.44 1.096 . . . . 0.0 112.422 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.2 mt -58.11 -48.81 79.06 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.669 1.122 . . . . 0.0 111.338 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.8 -45.17 90.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.529 1.132 . . . . 0.0 111.578 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.77 -49.2 78.66 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.096 0.958 . . . . 0.0 110.346 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -54.8 -50.28 68.93 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.436 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.33 -49.68 6.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.946 1.298 . . . . 0.0 113.475 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -70.22 -49.47 49.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.609 0.764 . . . . 0.0 111.914 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -52.35 -43.16 64.47 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.034 1.334 . . . . 0.0 111.973 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -53.74 -63.24 1.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.322 3.049 . . . . 0.0 112.06 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.25 -37.45 74.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.693 -0.629 . . . . 0.0 112.248 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.86 -55.04 33.95 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -52.64 -53.62 44.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.361 2.264 . . . . 0.0 111.27 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.13 -50.95 57.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.352 1.461 . . . . 0.0 112.08 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -65.67 -48.29 72.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.462 1.105 . . . . 0.0 112.279 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.47 -67.72 0.41 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.621 1.568 . . . . 0.0 113.136 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -162.62 112.06 1.41 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.776 2.03 . . . . 0.0 111.034 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.26 111.87 0.51 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.355 1.455 . . . . 0.0 110.728 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -130.91 -64.57 0.82 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.165 1.386 . . . . 0.0 111.468 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.09 -51.53 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.999 1.319 . . . . 0.0 109.904 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -145.12 157.35 44.12 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 127.544 2.338 . . . . 0.0 110.635 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.41 -74.5 0.45 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.462 1.905 . . . . 0.0 108.142 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.34 155.04 17.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.622 1.969 . . . . 0.0 111.535 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -135.97 -57.85 0.76 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.93 1.692 . . . . 0.0 113.034 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.4 130.51 93.4 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.039 1.735 . . . . 0.0 112.011 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.43 -41.95 14.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.096 2.531 . . . . 0.0 114.012 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -70.14 -9.07 54.43 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.142 1.777 . . . . 0.0 115.076 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 21.6 t -45.72 -54.34 8.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 112.353 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -52.23 -43.84 64.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.896 1.278 . . . . 0.0 112.457 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -60.54 -48.66 80.78 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.12 0.968 . . . . 0.0 109.853 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.29 -36.97 81.52 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.476 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 44.0 mttp -59.82 -41.92 92.38 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 120.874 1.67 . . . . 0.0 111.338 174.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.467 0.707 . . . . 0.0 110.144 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -57.65 -48.69 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.073 1.349 . . . . 0.0 110.273 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.02 -48.35 67.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.791 2.436 . . . . 0.0 112.48 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -59.2 -48.07 82.97 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.195 0.998 . . . . 0.0 111.118 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.99 -52.52 62.65 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.256 0.622 . . . . 0.0 111.658 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.3 mtp -39.36 -54.57 1.86 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.669 2.388 . . . . 0.0 114.591 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.1 p -60.21 -46.16 90.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.388 1.075 . . . . 0.0 113.114 -178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -72.96 -43.8 61.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.342 1.457 . . . . 0.0 112.698 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.5 t -61.54 135.69 57.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.384 1.874 . . . . 0.0 112.073 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -118.58 -6.8 10.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.808 1.643 . . . . 0.0 112.995 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.05 76.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.18 1.392 . . . . 0.0 112.668 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.55 -100.13 0.1 Allowed Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.496 1.522 . . . . 0.0 113.34 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -56.1 -39.79 72.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.651 1.58 . . . . 0.0 111.601 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.22 54.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.67 1.588 . . . . 0.0 115.003 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.37 127.29 32.42 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.657 1.117 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -66.37 -29.0 69.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 113.647 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.35 122.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.147 1.379 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.46 2.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.408 1.883 . . . . 0.0 113.006 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -58.53 -41.54 85.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.969 1.307 . . . . 0.0 113.173 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.6 t -55.91 -52.22 64.88 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.234 1.414 . . . . 0.0 112.35 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.69 85.2 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.066 0.946 . . . . 0.0 111.648 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.1 m -64.33 -52.43 58.47 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.188 1.795 . . . . 0.0 114.083 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -53.07 -38.3 62.39 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.464 2.305 . . . . 0.0 114.412 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -63.51 -50.22 70.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.337 173.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.51 15.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.606 1.962 . . . . 0.0 113.102 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -51.99 -46.27 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 118.853 0.751 . . . . 0.0 112.557 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.3 mm -69.96 -37.89 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.622 0.769 . . . . 0.0 111.63 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -53.27 -48.58 68.18 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.455 1.102 . . . . 0.0 110.041 173.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.96 -63.32 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.172 0.989 . . . . 0.0 110.466 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -54.2 -41.72 68.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -58.99 -43.39 91.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.385 -0.822 . . . . 0.0 111.81 177.4 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -76.86 -50.22 13.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.191 1.397 . . . . 0.0 113.634 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.0 130.53 46.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.665 1.586 . . . . 0.0 114.188 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -135.27 16.09 3.46 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.288 2.235 . . . . 0.0 111.181 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 57.6 ttt180 -62.32 132.48 52.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.233 1.813 . . . . 0.0 111.011 178.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -12.79 8.21 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.454 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 8.9 p-10 -150.73 24.66 0.77 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 138.04 97.12 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 119.762 1.164 . . . . 0.0 108.513 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -60.93 -6.84 6.67 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.25 3.3 . . . . 0.0 117.003 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.03 -51.77 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.857 1.208 . . . . 0.0 110.766 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.35 -50.01 65.93 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.48 1.912 . . . . 0.0 112.633 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.8 -61.43 7.37 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 117.151 -1.404 . . . . 0.0 112.026 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -57.71 -40.96 75.29 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.984 1.79 . . . . 0.0 112.937 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -57.11 -45.59 83.32 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.22 1.373 . . . . 0.0 112.154 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.71 -56.98 8.12 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.112 1.365 . . . . 0.0 111.95 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -73.3 -65.39 0.82 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.244 1.818 . . . . 0.0 115.25 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.01 100.68 0.77 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.841 1.256 . . . . 0.0 112.617 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -141.89 126.61 18.03 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.179 1.791 . . . . 0.0 110.839 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.38 93.85 4.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.222 1.009 . . . . 0.0 110.283 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 94' ' ' LYS . 8.7 mmpt? -120.22 -80.73 0.62 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.926 1.69 . . . . 0.0 111.508 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.823 1.649 . . . . 0.0 111.973 178.529 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.713 0.292 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.63 166.75 24.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.168 1.787 . . . . 0.0 110.935 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 12.4 tp -144.25 79.95 1.63 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.57 2.348 . . . . 0.0 106.654 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 47.35 61.46 2.89 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.849 1.659 . . . . 0.0 113.027 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 62.3 m 51.28 60.94 3.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 108.894 -171.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -46.61 130.37 11.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.228 2.211 . . . . 0.0 113.105 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 46.36 75.1 0.13 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.433 1.893 . . . . 0.0 110.719 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.7 mt -52.65 -37.64 58.96 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.602 0.761 . . . . 0.0 111.159 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.2 -42.12 0.37 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 128.179 2.8 . . . . 0.0 114.141 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -44.66 -56.15 4.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.466 2.306 . . . . 0.0 112.373 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.3 m -84.58 -37.44 21.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.637 2.375 . . . . 0.0 112.42 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 89.4 mtp -51.32 -32.7 26.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.301 1.44 . . . . 0.0 113.258 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.55 -42.13 67.2 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.188 1.395 . . . . 0.0 112.057 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -85.38 -55.64 3.92 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.574 1.55 . . . . 0.0 111.376 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 68.1 m -58.41 -45.24 88.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.971 2.508 . . . . 0.0 115.918 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.63 -114.32 6.73 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 109.216 -1.553 . . . . 0.0 109.216 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 115' ' ' LEU . 15.8 mt -134.97 120.58 14.19 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.077 1.751 . . . . 0.0 107.207 170.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -81.29 174.53 10.59 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 122.966 2.444 . . . . 0.0 114.03 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -117.75 62.82 0.75 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.714 1.606 . . . . 0.0 108.566 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.76 170.42 12.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.438 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 77.0 p -140.76 163.64 32.36 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.873 1.269 . . . . 0.0 109.446 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 80.0 p -55.32 -41.52 72.53 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.885 -0.509 . . . . 0.0 110.647 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -55.83 -56.84 15.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.129 1.372 . . . . 0.0 111.511 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.1 -49.52 68.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.675 0.79 . . . . 0.0 111.423 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.75 -49.67 76.83 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.605 1.162 . . . . 0.0 111.928 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -56.01 -48.35 76.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.605 1.562 . . . . 0.0 111.369 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.65 -51.21 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.334 1.854 . . . . 0.0 112.369 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.61 -40.17 64.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.499 1.12 . . . . 0.0 113.786 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.29 75.66 52.08 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.579 1.152 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.54 136.76 75.48 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.786 2.99 . . . . 0.0 112.67 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.22 129.79 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.931 1.293 . . . . 0.0 109.164 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -54.99 -51.81 65.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.261 1.424 . . . . 0.0 113.301 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -88.27 160.1 30.38 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.784 1.659 . . . . 0.0 112.261 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -74.67 65.62 1.35 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.014 1.326 . . . . 0.0 113.927 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.08 174.65 10.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.075 2.55 . . . . 0.0 110.473 177.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -132.72 -140.59 0.2 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.224 1.41 . . . . 0.0 110.088 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.04 109.46 0.59 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.57 135.46 51.54 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 129.393 3.077 . . . . 0.0 106.972 171.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -141.16 168.67 19.22 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.56 -142.17 40.85 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 127.251 2.358 . . . . 0.0 115.814 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.57 -33.16 59.78 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 117.994 0.897 . . . . 0.0 113.084 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -55.5 -33.17 63.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.98 0.912 . . . . 0.0 112.0 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.18 -57.27 13.32 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.56 -46.43 80.72 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.49 1.116 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.2 -48.61 73.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.201 1.0 . . . . 0.0 110.993 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.11 83.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.01 1.324 . . . . 0.0 111.584 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.43 -45.15 92.37 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 111.967 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.5 -23.27 65.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.48 -17.74 47.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.69 118.05 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.355 1.062 . . . . 0.0 113.026 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.601 0.239 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.13 125.73 91.84 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.6 1.16 . . . . 0.0 113.012 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.0 -49.01 18.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.083 3.189 . . . . 0.0 114.948 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.36 -45.47 93.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.816 0.846 . . . . 0.0 111.487 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.28 -38.82 66.29 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.029 0.831 . . . . 0.0 111.618 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -57.91 -47.61 82.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.373 0.988 . . . . 0.0 110.812 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -56.06 -48.08 76.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.881 1.272 . . . . 0.0 111.355 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.52 -42.28 96.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.094 1.358 . . . . 0.0 111.594 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.31 -52.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.803 1.241 . . . . 0.0 109.324 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -48.35 -49.5 34.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.814 1.645 . . . . 0.0 111.133 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -55.12 -60.87 2.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.445 1.498 . . . . 0.0 110.694 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -53.81 -40.36 66.3 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.416 1.007 . . . . 0.0 112.315 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.84 -58.49 7.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.881 1.672 . . . . 0.0 109.871 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.65 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.716 1.206 . . . . 0.0 112.054 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.48 -48.41 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.28 0.946 . . . . 0.0 112.085 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.36 -43.3 92.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.421 1.489 . . . . 0.0 111.969 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -63.05 -49.82 73.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.207 1.003 . . . . 0.0 110.483 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.11 -50.39 66.99 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.901 0.88 . . . . 0.0 110.178 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.73 7.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.56 1.544 . . . . 0.0 112.744 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.05 -44.73 83.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.58 -0.7 . . . . 0.0 112.76 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -53.72 -52.0 61.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.162 0.985 . . . . 0.0 110.703 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.32 -52.68 64.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.459 2.703 . . . . 0.0 110.548 177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -50.12 -56.64 10.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.429 1.892 . . . . 0.0 111.028 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -50.89 -51.33 52.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.331 1.452 . . . . 0.0 111.318 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.09 -57.75 11.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.143 0.577 . . . . 0.0 111.17 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -46.04 -44.41 15.27 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.099 2.16 . . . . 0.0 114.005 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -54.92 -40.13 69.55 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.889 0.876 . . . . 0.0 112.281 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.69 -57.71 3.44 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.418 1.487 . . . . 0.0 111.486 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -147.74 133.83 19.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.47 1.908 . . . . 0.0 111.714 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.43 158.14 26.26 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 121.284 -0.885 . . . . 0.0 114.147 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -151.04 165.19 34.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.688 1.995 . . . . 0.0 111.001 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -50.3 -47.82 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.981 1.313 . . . . 0.0 112.739 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -76.91 -4.88 46.14 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.95 70.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.549 1.068 . . . . 0.0 111.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.36 172.31 13.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.308 1.443 . . . . 0.0 111.77 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -135.51 -53.95 0.78 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.866 1.667 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.79 119.34 59.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.881 1.672 . . . . 0.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.51 -36.59 33.41 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.261 1.974 . . . . 0.0 112.224 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -69.98 -9.47 55.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.697 1.999 . . . . 0.0 114.998 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.84 -54.54 32.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.583 1.553 . . . . 0.0 110.794 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.248 -0.908 . . . . 0.0 112.796 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -60.7 -50.62 72.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.697 0.681 . . . . 0.0 109.192 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mmt -59.77 -39.29 84.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.335 -0.841 . . . . 0.0 112.096 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -60.4 -45.16 94.57 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.67 1.577 . . . . 0.0 111.494 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -59.19 -47.73 84.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.539 0.736 . . . . 0.0 110.212 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.86 -48.51 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.459 1.503 . . . . 0.0 110.913 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.19 -50.16 67.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.072 2.549 . . . . 0.0 111.853 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -57.57 -42.09 82.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.465 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.61 -51.72 46.87 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.788 0.835 . . . . 0.0 111.124 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.8 mtp -42.91 -49.48 5.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.579 2.352 . . . . 0.0 114.658 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -59.87 -46.37 89.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.904 0.881 . . . . 0.0 112.588 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -74.25 -45.94 44.71 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.981 1.712 . . . . 0.0 113.293 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.444 ' HB3' HH22 ' A' ' 68' ' ' ARG . 43.3 t -60.99 133.38 56.04 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.384 1.874 . . . . 0.0 112.895 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -113.9 -8.4 13.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.803 1.641 . . . . 0.0 113.565 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.06 92.36 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.099 1.36 . . . . 0.0 112.941 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.63 -99.83 0.1 OUTLIER Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.766 1.65 . . . . 0.0 113.866 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -56.35 -43.02 78.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.636 1.175 . . . . 0.0 111.565 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.02 -18.67 60.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.884 . . . . 0.0 115.475 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.85 126.7 29.33 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.563 1.074 . . . . 0.0 110.777 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -30.35 71.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.209 1.403 . . . . 0.0 113.84 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.38 117.62 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.897 1.279 . . . . 0.0 110.637 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -54.07 17.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.674 1.59 . . . . 0.0 112.838 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -58.94 -46.15 88.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.282 1.433 . . . . 0.0 112.502 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.39 -48.31 81.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.926 1.29 . . . . 0.0 111.433 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.01 -57.03 14.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.291 1.036 . . . . 0.0 111.406 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.4 p -62.38 -50.74 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.432 1.893 . . . . 0.0 115.195 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.0 p -45.64 -40.45 9.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.896 2.078 . . . . 0.0 115.459 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.444 HH22 ' HB3' ' A' ' 53' ' ' CYS . 34.5 mtt180 -61.6 -33.7 74.36 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.865 -1.147 . . . . 0.0 112.809 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -49.7 36.66 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.426 1.012 . . . . 0.0 111.995 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 pt -52.41 -47.07 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.063 0.847 . . . . 0.0 112.165 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.6 -36.93 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.146 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -54.53 -53.46 54.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.974 0.807 . . . . 0.0 110.089 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.96 -59.99 4.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.681 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -63.52 -46.28 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.61 -0.681 . . . . 0.0 112.374 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -72.14 -40.36 68.11 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.1 t -60.78 130.08 44.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.1 1.76 . . . . 0.0 113.71 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.9 p -134.15 18.87 3.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.413 2.285 . . . . 0.0 111.734 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -60.93 146.72 45.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.235 2.214 . . . . 0.0 112.599 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -53.47 -51.26 63.3 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.165 1.386 . . . . 0.0 111.113 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -145.83 118.37 8.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.493 1.517 . . . . 0.0 111.41 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.41 142.5 38.93 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 128.339 2.656 . . . . 0.0 105.697 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.22 -13.47 16.23 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 117.484 -173.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.48 -49.52 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.889 1.222 . . . . 0.0 111.038 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.8 m -53.52 -51.35 63.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.714 2.006 . . . . 0.0 113.05 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.88 -59.95 10.96 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.095 1.358 . . . . 0.0 112.96 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.05 -33.41 98.61 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.976 1.784 . . . . 0.0 113.246 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.52 -47.25 76.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.358 -0.839 . . . . 0.0 111.305 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.06 -52.75 64.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.258 1.423 . . . . 0.0 111.131 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.61 123.62 18.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.635 1.174 . . . . 0.0 113.054 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.89 118.38 24.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.896 1.679 . . . . 0.0 108.943 174.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 m -129.12 131.86 47.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.241 1.417 . . . . 0.0 111.734 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.73 142.62 57.93 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.584 1.153 . . . . 0.0 112.044 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.64 113.3 16.54 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.643 1.577 . . . . 0.0 110.585 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.166 1.786 . . . . 0.0 112.797 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.668 -0.123 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.23 113.13 5.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.435 0.694 . . . . 0.0 110.368 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.38 -47.67 0.39 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.24 1.416 . . . . 0.0 112.867 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 96.52 0.04 OUTLIER 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.733 2.013 . . . . 0.0 108.734 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 36.4 m 46.78 53.64 9.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.33 1.852 . . . . 0.0 111.915 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 140.24 4.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.919 1.688 . . . . 0.0 111.995 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 57.56 65.24 1.38 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.027 1.331 . . . . 0.0 109.613 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.74 -28.05 60.41 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.855 0.862 . . . . 0.0 111.81 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -42.33 -36.98 2.3 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 127.399 2.428 . . . . 0.0 113.624 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.17 -60.66 2.46 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.254 2.221 . . . . 0.0 111.866 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.6 m -74.4 -38.82 63.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.811 2.045 . . . . 0.0 111.611 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.16 39.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.115 1.366 . . . . 0.0 113.032 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.31 -30.29 62.34 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.155 1.382 . . . . 0.0 112.795 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -76.71 72.57 3.36 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.793 1.637 . . . . 0.0 111.333 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 33.0 m 55.66 30.84 16.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.521 2.329 . . . . 0.0 115.441 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.78 -108.97 2.66 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.574 1.083 . . . . 0.0 112.358 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 mt -90.42 137.98 27.19 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.493 1.117 . . . . 0.0 111.217 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -83.27 177.77 6.28 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.679 2.92 . . . . 0.0 113.298 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -114.03 60.46 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.161 1.384 . . . . 0.0 108.733 172.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.3 mt -68.81 158.08 35.13 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.536 1.135 . . . . 0.0 110.379 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.8 p -132.87 167.77 19.6 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.685 1.194 . . . . 0.0 111.057 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.1 p -54.76 -51.2 66.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.4 1.08 . . . . 0.0 110.429 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -51.67 -56.74 11.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.611 1.564 . . . . 0.0 111.844 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -52.88 -51.15 62.19 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.811 0.844 . . . . 0.0 111.975 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.31 -49.75 76.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.456 1.102 . . . . 0.0 112.284 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.6 -46.16 81.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.419 1.088 . . . . 0.0 111.694 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.95 -50.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.207 1.803 . . . . 0.0 112.23 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -71.61 -44.11 65.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.907 1.283 . . . . 0.0 114.19 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -132.18 75.87 74.01 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.843 1.257 . . . . 0.0 111.969 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.22 138.97 72.72 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.89 3.06 . . . . 0.0 112.777 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.1 mt -78.46 125.53 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -64.71 -34.98 79.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -106.68 -162.35 22.28 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.143 1.354 . . . . 0.0 114.761 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 24.3 m -61.03 -37.02 81.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.469 1.907 . . . . 0.0 115.832 -175.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -63.0 159.96 15.98 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.256 1.027 . . . . 0.0 113.204 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -134.9 -39.89 0.77 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.381 1.872 . . . . 0.0 111.135 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 9.8 mt -128.29 140.65 51.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.932 1.693 . . . . 0.0 109.543 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 124.7 51.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.105 2.562 . . . . 0.0 106.729 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -146.3 162.07 38.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.433 1.093 . . . . 0.0 113.875 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.09 -146.26 48.86 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.987 1.756 . . . . 0.0 114.514 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.72 -35.99 56.71 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.104 0.962 . . . . 0.0 113.409 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.14 -35.87 49.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.859 1.264 . . . . 0.0 112.122 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.69 -62.48 1.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.306 1.042 . . . . 0.0 108.805 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.41 -45.35 80.69 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.694 1.198 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -52.79 -50.26 63.95 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.394 1.078 . . . . 0.0 111.101 175.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.1 -49.53 74.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.568 1.147 . . . . 0.0 111.968 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.67 -44.37 85.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.381 0.991 . . . . 0.0 112.611 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.6 -33.58 72.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.561 . . . . 0.0 114.708 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.85 -16.0 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -60.73 -36.92 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.35 1.46 . . . . 0.0 111.804 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.197 1.399 . . . . 0.0 114.421 -175.867 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.89 134.91 12.44 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.857 1.263 . . . . 0.0 111.797 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.18 -49.15 14.76 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.851 3.034 . . . . 0.0 114.513 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.27 -40.7 98.12 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.236 -0.915 . . . . 0.0 112.224 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.67 -38.75 82.32 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 0.772 . . . . 0.0 110.367 173.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -62.11 -46.3 89.66 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.637 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -53.69 -48.35 69.59 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 120.014 1.279 . . . . 0.0 111.063 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.83 -51.52 69.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.104 1.362 . . . . 0.0 111.122 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -54.73 -51.27 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.909 1.284 . . . . 0.0 110.101 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -52.05 -51.96 54.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.587 . . . . 0.0 111.555 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -53.24 -54.62 33.47 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 110.756 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.94 -39.04 87.97 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.002 0.921 . . . . 0.0 112.897 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.48 -54.31 45.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.799 1.64 . . . . 0.0 109.017 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.17 -53.91 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.636 1.174 . . . . 0.0 111.248 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -56.22 -46.22 79.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.64 -47.96 83.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.291 1.036 . . . . 0.0 112.498 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.81 -52.11 66.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.124 0.97 . . . . 0.0 110.809 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -54.6 -54.29 43.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.079 0.952 . . . . 0.0 110.613 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.0 -57.37 2.02 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.916 2.087 . . . . 0.0 114.524 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -69.85 -40.96 75.48 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.68 1.127 . . . . 0.0 113.201 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.76 -47.51 76.87 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.351 0.978 . . . . 0.0 110.263 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.3 t -62.48 -41.11 98.56 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.456 2.702 . . . . 0.0 111.357 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.29 -41.91 80.7 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.246 1.419 . . . . 0.0 111.031 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -64.03 -46.17 85.65 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.105 -0.997 . . . . 0.0 110.926 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -56.71 -49.9 73.8 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.385 1.874 . . . . 0.0 110.624 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.07 -51.74 60.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.919 1.688 . . . . 0.0 110.745 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.46 -45.26 88.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.233 1.013 . . . . 0.0 111.941 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.46 73.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.394 1.078 . . . . 0.0 112.064 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.5 -56.33 21.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.916 1.686 . . . . 0.0 112.119 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.01 138.35 3.88 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 128.305 2.86 . . . . 0.0 109.075 -174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 107.35 3.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.809 0.844 . . . . 0.0 111.266 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.12 -63.65 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.77 2.028 . . . . 0.0 108.57 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -137.68 145.9 43.17 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.991 2.916 . . . . 0.0 107.369 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.0 -75.66 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.023 0.374 . . . . 0.0 111.907 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 t -148.89 -179.9 7.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.071 2.148 . . . . 0.0 112.703 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 m -72.66 -45.32 59.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.791 1.636 . . . . 0.0 110.578 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -69.23 127.77 92.8 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.354 1.062 . . . . 0.0 109.585 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.9 -33.7 41.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.266 1.977 . . . . 0.0 110.584 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -59.14 -34.5 72.14 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.733 2.013 . . . . 0.0 113.108 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.16 -49.35 66.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.659 1.584 . . . . 0.0 111.201 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.76 -49.77 61.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.733 1.613 . . . . 0.0 110.826 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -59.06 -52.72 64.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.456 1.102 . . . . 0.0 110.987 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -38.38 75.26 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.422 1.01 . . . . 0.0 112.039 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -63.12 -40.77 98.57 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.327 1.421 . . . . 0.0 111.706 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.11 -47.44 82.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.879 0.871 . . . . 0.0 110.227 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.17 -50.11 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.988 1.715 . . . . 0.0 110.146 175.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.29 -56.92 12.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.797 2.039 . . . . 0.0 110.829 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -51.6 -45.46 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.891 1.276 . . . . 0.0 111.897 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.89 -54.45 38.53 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.074 0.55 . . . . 0.0 111.329 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.262 14.4 ptt? -59.22 -25.05 63.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 p -70.88 -39.45 72.84 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.416 1.462 . . . . 0.0 111.207 174.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -73.3 -55.96 5.71 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.583 1.553 . . . . 0.0 111.288 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.52 146.57 51.38 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.253 1.421 . . . . 0.0 110.65 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -130.2 -2.33 4.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.322 1.449 . . . . 0.0 113.492 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.32 -63.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.343 1.057 . . . . 0.0 111.774 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.38 -72.88 0.45 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.203 1.382 . . . . 0.0 113.633 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -59.13 -53.4 58.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.208 1.803 . . . . 0.0 110.691 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.35 -19.95 41.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.538 1.535 . . . . 0.0 114.355 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -61.21 122.88 16.16 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.047 0.839 . . . . 0.0 110.187 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.19 -24.41 65.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.785 1.234 . . . . 0.0 113.269 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.78 115.19 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.11 1.364 . . . . 0.0 110.042 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.07 -51.89 22.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.014 1.726 . . . . 0.0 112.324 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -60.1 -44.56 94.73 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.335 1.454 . . . . 0.0 113.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.4 t -55.84 -55.85 27.6 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.262 1.392 . . . . 0.0 110.269 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.34 -46.2 65.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.101 1.36 . . . . 0.0 112.553 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -69.53 -58.86 3.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.818 1.647 . . . . 0.0 114.106 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 p -49.47 -49.02 47.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.023 2.129 . . . . 0.0 113.29 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -51.53 -51.82 52.16 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.439 -0.788 . . . . 0.0 110.715 174.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -55.18 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.299 1.839 . . . . 0.0 112.597 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -55.79 -43.63 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.007 0.822 . . . . 0.0 112.842 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.5 mm -69.49 -40.59 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.794 0.725 . . . . 0.0 111.549 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -54.0 -50.12 67.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.334 1.053 . . . . 0.0 109.859 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -58.34 -60.79 3.22 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.753 0.821 . . . . 0.0 109.806 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -50.95 -44.48 60.45 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -65.36 -50.5 65.32 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.938 0.79 . . . . 0.0 112.167 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.23 -45.13 89.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.382 1.073 . . . . 0.0 113.226 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.57 125.22 23.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.28 1.432 . . . . 0.0 112.607 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 p -133.3 20.85 4.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.484 2.314 . . . . 0.0 110.68 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 12.3 ttm-85 -65.04 136.79 57.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.654 2.382 . . . . 0.0 110.777 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -70.84 -9.46 57.63 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -148.33 27.81 0.92 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.405 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.7 t -64.42 136.29 96.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 CA-C-N 120.165 1.348 . . . . 0.0 107.771 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -60.7 -7.02 6.61 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.042 3.161 . . . . 0.0 116.571 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.29 -52.67 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.497 1.044 . . . . 0.0 110.685 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.54 -47.19 73.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.985 1.714 . . . . 0.0 112.393 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.23 -62.29 5.52 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -58.55 -38.43 89.79 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 121.947 1.731 . . . . 0.0 113.611 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.95 -40.27 92.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.125 -0.985 . . . . 0.0 112.002 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -64.21 -58.91 5.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.523 1.129 . . . . 0.0 109.266 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -156.08 108.5 2.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.145 1.778 . . . . 0.0 111.196 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.26 122.2 27.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.241 0.616 . . . . 0.0 110.362 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 p -65.54 156.94 31.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.559 1.144 . . . . 0.0 111.07 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.09 109.69 2.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.414 -0.804 . . . . 0.0 111.052 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -139.62 140.47 36.98 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.957 2.103 . . . . 0.0 110.301 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 124.752 1.221 . . . . 0.0 111.32 177.521 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.71 0.29 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -146.51 163.96 34.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.326 1.851 . . . . 0.0 109.946 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -145.52 -51.45 0.25 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.162 2.185 . . . . 0.0 110.312 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -31.0 37.57 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.257 1.423 . . . . 0.0 113.018 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 30.0 p -53.8 -20.78 6.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.695 1.598 . . . . 0.0 114.826 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -50.71 -37.53 41.93 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.402 1.481 . . . . 0.0 114.029 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.2 -6.99 51.08 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.99 73.95 2.19 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.323 1.42 . . . . 0.0 107.812 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.48 -24.36 1.21 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 127.267 2.365 . . . . 0.0 112.559 -172.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.26 -47.65 85.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.505 1.653 . . . . 0.0 112.208 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -116.72 1.34 12.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.47 1.108 . . . . 0.0 113.787 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 35.3 mtt -68.0 -36.46 80.04 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.264 -0.897 . . . . 0.0 110.627 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.0 -46.3 88.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.319 1.447 . . . . 0.0 111.073 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.99 -54.32 19.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.348 1.859 . . . . 0.0 113.73 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.5 m -127.07 -38.83 1.97 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.53 -111.78 3.98 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -98.65 115.86 65.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.039 0.936 . . . . 0.0 108.593 173.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -80.12 173.77 12.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.189 2.593 . . . . 0.0 113.055 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.02 66.01 0.67 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.042 1.337 . . . . 0.0 108.658 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.9 169.75 12.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.377 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 62.4 p -139.47 169.01 18.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.147 0.979 . . . . 0.0 110.577 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 6.4 p -53.59 -52.79 58.65 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 108.743 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -50.55 -57.95 6.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.758 1.623 . . . . 0.0 112.325 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.93 -50.73 65.79 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.052 0.842 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.52 -48.53 80.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.214 1.006 . . . . 0.0 111.895 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.6 -47.57 76.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.598 1.559 . . . . 0.0 111.547 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.2 -50.81 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.306 1.843 . . . . 0.0 112.193 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -73.74 -40.69 63.34 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.0 76.6 39.22 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.983 1.313 . . . . 0.0 111.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.31 135.92 72.68 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.787 2.991 . . . . 0.0 113.29 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.0 mt -64.27 131.01 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.621 1.169 . . . . 0.0 108.998 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.79 135.4 57.76 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.348 0.594 . . . . 0.0 111.291 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.1 -87.58 1.29 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.59 1.09 . . . . 0.0 110.59 -176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 49.0 m -142.45 142.49 32.34 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.883 1.673 . . . . 0.0 111.607 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 mtm105 -71.17 116.29 11.31 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.048 0.939 . . . . 0.0 111.268 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -151.48 134.07 15.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.453 2.301 . . . . 0.0 110.04 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.95 106.95 17.5 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.075 0.94 . . . . 0.0 113.446 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 131.58 48.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.495 2.718 . . . . 0.0 107.476 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.5 161.33 41.86 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.29 -146.12 48.45 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.849 1.69 . . . . 0.0 114.489 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.53 -31.12 63.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.525 -0.985 . . . . 0.0 113.392 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.06 -34.89 58.58 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.221 1.008 . . . . 0.0 111.839 174.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 32.4 mt -57.02 -61.0 2.76 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -55.2 -43.32 74.32 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.346 1.458 . . . . 0.0 112.215 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -57.54 -48.43 79.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.603 1.161 . . . . 0.0 110.457 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.19 95.72 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.527 1.131 . . . . 0.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.19 -40.47 94.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.771 1.228 . . . . 0.0 113.226 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.6 -40.01 78.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.688 1.195 . . . . 0.0 113.713 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -52.72 -17.26 1.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.61 -37.57 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.575 1.55 . . . . 0.0 111.843 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.643 0.259 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.84 138.71 16.24 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.005 1.722 . . . . 0.0 111.541 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -62.89 -29.38 76.2 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.295 2.663 . . . . 0.0 114.396 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.8 -41.5 74.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.936 1.244 . . . . 0.0 110.534 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.13 -34.11 65.79 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.0 0.818 . . . . 0.0 111.66 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -57.1 -46.44 82.58 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.524 1.056 . . . . 0.0 110.765 173.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -55.82 -51.31 67.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.932 1.293 . . . . 0.0 110.839 174.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -54.59 -52.45 62.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.71 1.604 . . . . 0.0 111.052 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.49 -53.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.122 1.769 . . . . 0.0 110.059 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -47.56 -54.23 12.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.871 1.668 . . . . 0.0 111.716 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.8 -53.58 55.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.776 -1.107 . . . . 0.0 111.647 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.62 -43.26 65.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.808 1.64 . . . . 0.0 112.869 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.87 -59.33 4.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.369 1.867 . . . . 0.0 110.146 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.44 -43.64 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.776 1.23 . . . . 0.0 112.16 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.39 -51.0 71.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.372 0.987 . . . . 0.0 111.411 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.47 -43.19 83.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.831 1.652 . . . . 0.0 112.231 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.94 -51.7 67.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.437 1.095 . . . . 0.0 110.52 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -55.91 -47.39 77.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.318 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.79 -56.16 4.01 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.565 1.546 . . . . 0.0 113.068 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -68.95 -38.55 79.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.155 -0.966 . . . . 0.0 112.764 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -57.17 -43.2 82.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.743 1.156 . . . . 0.0 111.081 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.82 -50.24 69.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.552 2.741 . . . . 0.0 109.982 173.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -52.67 -45.1 66.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.007 1.723 . . . . 0.0 111.514 175.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -57.82 -53.39 58.77 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.28 1.432 . . . . 0.0 110.117 176.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -56.52 -51.09 69.84 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.081 1.352 . . . . 0.0 111.617 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.16 -45.99 72.2 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.471 1.908 . . . . 0.0 112.09 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.82 -49.71 67.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.194 0.997 . . . . 0.0 111.603 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.9 -57.59 12.12 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.435 1.494 . . . . 0.0 112.684 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -149.35 91.58 1.85 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.876 1.67 . . . . 0.0 110.983 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.05 69.39 3.33 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.642 1.115 . . . . 0.0 111.717 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.48 -83.52 0.37 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.049 1.74 . . . . 0.0 109.999 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.58 88.92 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.424 1.089 . . . . 0.0 108.352 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 150.61 46.25 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.671 1.189 . . . . 0.0 112.168 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.34 9.2 12.39 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.15 1.38 . . . . 0.0 112.572 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.15 141.13 49.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.652 1.581 . . . . 0.0 111.457 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 m -135.32 -46.89 0.7 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.263 1.825 . . . . 0.0 111.766 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 120.52 58.39 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.762 2.025 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -64.91 -37.95 31.79 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.82 2.346 . . . . 0.0 113.733 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -72.52 -9.61 58.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.055 1.742 . . . . 0.0 115.288 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 42.6 t -42.81 -57.06 2.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.488 1.915 . . . . 0.0 113.694 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -60.54 -29.73 69.32 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.6 m -62.97 -51.1 68.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.324 0.966 . . . . 0.0 108.516 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -38.17 76.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.3 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 43.9 mttp -61.04 -44.03 98.01 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.535 1.516 . . . . 0.0 111.848 174.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -60.6 -48.36 82.12 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 110.106 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.45 -54.39 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.832 1.653 . . . . 0.0 109.858 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.38 -54.05 19.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.523 2.729 . . . . 0.0 112.2 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -54.71 -45.15 73.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.459 1.103 . . . . 0.0 111.974 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.79 -47.96 70.49 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.629 -0.669 . . . . 0.0 110.544 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -48.02 5.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.123 2.569 . . . . 0.0 115.105 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.5 p -63.87 -51.04 66.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.817 1.247 . . . . 0.0 112.408 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -66.84 -44.82 80.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.952 1.701 . . . . 0.0 112.55 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.67 132.31 50.69 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.994 1.718 . . . . 0.0 111.553 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -118.53 -2.9 10.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.124 1.77 . . . . 0.0 112.762 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.89 82.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.995 1.318 . . . . 0.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.67 -99.59 0.08 OUTLIER Glycine 0 N--CA 1.471 1.025 0 C-N-CA 125.837 1.684 . . . . 0.0 113.166 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -55.14 -42.39 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.983 1.713 . . . . 0.0 111.412 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 -18.25 56.56 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.992 1.717 . . . . 0.0 115.543 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.91 122.26 17.79 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.009 1.277 . . . . 0.0 110.1 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -67.05 -26.35 66.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.673 1.189 . . . . 0.0 113.344 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.6 118.14 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.151 1.381 . . . . 0.0 110.254 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.27 2.24 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.603 1.561 . . . . 0.0 112.376 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -51.41 -44.84 62.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.924 1.69 . . . . 0.0 113.074 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.85 -51.34 70.42 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.557 1.543 . . . . 0.0 111.398 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.55 73.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.876 1.271 . . . . 0.0 112.386 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.5 p -67.45 -49.28 64.34 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -52.25 -38.97 59.69 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -61.53 -47.43 85.6 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.742 -1.224 . . . . 0.0 110.676 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -54.7 34.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.475 1.91 . . . . 0.0 112.45 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.19 -42.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.0 mm -71.47 -39.78 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.64 -0.663 . . . . 0.0 111.246 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -53.53 -47.74 69.7 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.056 0.942 . . . . 0.0 109.809 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.17 -63.17 1.36 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.249 1.02 . . . . 0.0 109.726 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.04 -46.17 52.83 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.21 -51.13 70.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.584 0.629 . . . . 0.0 112.425 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -70.35 -42.98 71.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.541 1.136 . . . . 0.0 114.062 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.47 130.79 44.11 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.543 1.537 . . . . 0.0 112.792 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -133.07 9.94 4.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.636 1.974 . . . . 0.0 111.766 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.77 119.61 8.51 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.463 1.505 . . . . 0.0 108.2 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -2.42 3.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.21 23.8 1.47 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.698 1.599 . . . . 0.0 114.814 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.3 135.11 93.52 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 120.127 1.33 . . . . 0.0 108.064 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -59.39 -11.83 14.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.223 3.282 . . . . 0.0 116.616 -175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.3 -51.96 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.413 1.006 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.01 -49.39 71.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.023 1.729 . . . . 0.0 113.134 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.86 -61.44 5.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-O 117.445 -1.264 . . . . 0.0 112.374 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.18 -38.76 74.27 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.965 1.777 . . . . 0.0 112.966 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.49 -45.91 90.34 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.169 0.895 . . . . 0.0 111.724 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.92 -55.47 32.59 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.703 1.201 . . . . 0.0 110.578 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -143.39 112.16 6.51 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.167 1.387 . . . . 0.0 112.652 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.24 -62.64 1.52 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.154 1.781 . . . . 0.0 107.2 172.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.1 m -76.3 134.32 39.78 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.202 1.401 . . . . 0.0 107.506 170.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -66.74 93.17 0.24 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.183 0.901 . . . . 0.0 111.939 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -70.24 132.97 46.55 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.171 1.388 . . . . 0.0 111.592 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.877 2.071 . . . . 0.0 111.766 179.718 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -63.14 119.76 10.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.83 0.852 . . . . 0.0 110.375 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 54.5 tp -141.26 -47.23 0.39 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.28 95.28 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.492 1.917 . . . . 0.0 108.809 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 56.7 m 49.29 53.33 12.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.772 1.629 . . . . 0.0 111.237 -170.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.25 138.13 4.19 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.821 1.649 . . . . 0.0 112.503 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 53.19 65.74 1.43 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.912 1.285 . . . . 0.0 109.564 -174.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -50.76 -39.81 53.24 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.777 1.231 . . . . 0.0 111.719 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.75 -40.98 0.37 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 128.15 2.786 . . . . 0.0 114.399 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -44.3 -59.12 2.53 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.265 2.226 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.1 m -81.53 -33.44 31.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.798 1.639 . . . . 0.0 112.254 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 94.3 mtp -58.29 -36.16 72.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.653 0.781 . . . . 0.0 111.94 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.88 -46.85 84.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.328 1.451 . . . . 0.0 111.765 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.39 -54.02 10.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.362 1.865 . . . . 0.0 112.474 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.2 m -75.05 -41.4 59.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 127.769 2.428 . . . . 0.0 115.466 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.84 -109.15 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 -171.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 115' ' ' LEU . 14.7 mt -135.57 121.07 13.78 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.959 1.704 . . . . 0.0 107.295 170.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.53 -178.39 4.41 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.335 2.024 . . . . 0.0 111.765 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.17 57.61 1.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.479 1.512 . . . . 0.0 108.153 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.26 151.46 46.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.582 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.5 p -122.83 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.678 1.191 . . . . 0.0 110.749 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.7 p -54.11 -53.03 58.79 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 108.874 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.46 -57.44 8.99 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.833 1.653 . . . . 0.0 112.615 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -52.92 -51.92 59.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.012 0.824 . . . . 0.0 111.997 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 90.6 m -62.27 -47.36 84.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.128 0.971 . . . . 0.0 112.16 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.06 -45.93 75.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.06 1.344 . . . . 0.0 111.785 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -65.06 -51.48 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.387 1.875 . . . . 0.0 112.512 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.72 -33.57 46.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 71.9 40.46 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.474 1.51 . . . . 0.0 111.811 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.68 136.3 70.5 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.933 3.088 . . . . 0.0 113.763 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.24 129.92 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.791 1.237 . . . . 0.0 109.16 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -57.52 130.68 47.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.872 0.869 . . . . 0.0 111.3 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 93.76 -83.14 1.02 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.562 1.077 . . . . 0.0 110.751 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 33.7 m -145.84 145.33 30.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.437 1.495 . . . . 0.0 111.902 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -67.87 131.11 44.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 110.776 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -150.9 -179.24 7.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.625 2.37 . . . . 0.0 108.937 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 mt -134.34 103.87 5.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.411 1.484 . . . . 0.0 109.183 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.79 127.32 31.62 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.68 1.992 . . . . 0.0 107.896 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -135.46 160.36 38.7 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 57.35 -143.37 41.52 Favored Glycine 0 N--CA 1.47 0.904 0 C-N-CA 127.061 2.267 . . . . 0.0 115.832 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.54 -31.01 61.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.294 1.047 . . . . 0.0 113.821 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -54.8 -32.9 60.8 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.519 0.728 . . . . 0.0 111.905 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.81 -62.58 1.64 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.12 -47.43 71.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.572 1.149 . . . . 0.0 111.409 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.82 -49.54 68.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.868 1.267 . . . . 0.0 111.227 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.36 89.77 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.546 1.138 . . . . 0.0 111.524 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.92 -38.42 90.9 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.388 1.075 . . . . 0.0 113.222 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.75 -32.52 72.78 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.17 1.388 . . . . 0.0 114.528 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.41 -20.1 58.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.26 117.71 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.714 1.205 . . . . 0.0 110.658 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.754 1.222 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 140.71 15.68 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.883 1.273 . . . . 0.0 112.017 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -57.11 -38.6 95.16 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.253 2.636 . . . . 0.0 113.793 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.07 -44.82 91.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.53 1.059 . . . . 0.0 110.647 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.32 -34.86 71.07 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.519 -0.738 . . . . 0.0 111.07 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -64.72 -46.34 82.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.446 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -52.56 -50.98 61.86 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.855 1.207 . . . . 0.0 111.082 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.12 -51.03 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.356 1.463 . . . . 0.0 111.427 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.6 -52.9 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.338 1.455 . . . . 0.0 110.163 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -49.25 -54.38 17.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.769 1.627 . . . . 0.0 111.298 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -53.48 -60.19 3.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.282 1.433 . . . . 0.0 110.576 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -55.08 -38.93 68.71 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.18 -53.78 51.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.298 1.439 . . . . 0.0 109.492 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.33 -46.44 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.719 1.208 . . . . 0.0 111.269 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.78 -49.27 68.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.926 0.89 . . . . 0.0 111.627 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.0 tp -62.61 -45.19 94.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.147 1.379 . . . . 0.0 112.763 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.33 -47.62 83.15 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.928 -0.483 . . . . 0.0 110.298 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -57.52 -49.18 77.17 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.306 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.92 -50.87 10.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.016 1.726 . . . . 0.0 113.793 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -62.84 -48.41 79.17 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.402 -0.811 . . . . 0.0 111.362 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -42.64 75.85 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 119.178 0.899 . . . . 0.0 112.296 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.12 -54.62 37.01 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.266 2.226 . . . . 0.0 109.862 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -56.94 -54.3 48.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.018 1.327 . . . . 0.0 111.152 174.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -49.2 -53.0 23.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.079 2.152 . . . . 0.0 111.839 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.67 -57.17 13.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 0.0 110.682 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -53.17 -47.08 69.11 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.216 1.406 . . . . 0.0 112.072 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -47.98 83.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.66 1.184 . . . . 0.0 111.538 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.96 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.665 1.186 . . . . 0.0 112.324 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -147.32 118.83 7.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.453 1.901 . . . . 0.0 110.945 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.96 153.47 52.13 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 123.791 0.71 . . . . 0.0 112.978 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.51 156.6 46.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.165 1.386 . . . . 0.0 112.375 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -53.01 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.123 0.969 . . . . 0.0 109.014 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -154.51 96.8 1.94 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.719 2.007 . . . . 0.0 110.239 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -51.54 8.73 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.707 0.803 . . . . 0.0 111.17 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.81 139.16 57.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.009 2.124 . . . . 0.0 113.724 -177.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -133.81 25.14 4.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.642 1.977 . . . . 0.0 112.825 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.6 mt -128.0 107.36 20.04 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 126.428 1.891 . . . . 0.0 109.688 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -46.04 -50.52 9.76 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 124.158 3.238 . . . . 0.0 115.137 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -77.73 0.13 24.73 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.44 -41.89 86.13 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.229 0.922 . . . . 0.0 108.932 170.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -50.0 -49.6 50.1 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.122 1.369 . . . . 0.0 110.771 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 m -55.63 -57.44 11.97 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.385 1.474 . . . . 0.0 109.762 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mmt -57.85 -43.5 85.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -59.58 -45.1 92.86 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.753 1.615 . . . . 0.0 112.029 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.17 -49.88 75.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.632 0.773 . . . . 0.0 110.461 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.47 -49.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.188 1.795 . . . . 0.0 111.242 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.95 -58.4 6.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.201 2.601 . . . . 0.0 110.361 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -50.9 -48.82 60.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.421 1.088 . . . . 0.0 111.559 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.23 -54.12 48.22 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.479 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -56.31 -29.62 61.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.25 92.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.884 1.22 . . . . 0.0 112.146 174.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -78.03 -52.53 8.64 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.234 1.414 . . . . 0.0 111.442 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.31 135.41 56.48 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.024 2.13 . . . . 0.0 111.109 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -114.36 -0.68 13.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.58 1.152 . . . . 0.0 112.659 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.06 -76.01 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 111.768 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 -66.34 1.94 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.928 1.252 . . . . 0.0 112.297 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.63 -49.86 73.74 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.615 1.966 . . . . 0.0 111.548 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.11 -12.15 26.98 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.216 1.807 . . . . 0.0 115.202 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -63.0 132.85 53.41 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.244 0.929 . . . . 0.0 110.62 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.03 -34.23 77.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.241 1.416 . . . . 0.0 113.662 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.57 124.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.029 1.332 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.28 1.79 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.11 1.364 . . . . 0.0 112.694 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -54.63 -35.58 63.61 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.348 1.859 . . . . 0.0 114.844 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.28 -46.33 69.24 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.874 2.07 . . . . 0.0 111.429 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.18 -55.57 17.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.354 1.061 . . . . 0.0 111.261 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -53.91 -56.32 18.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.185 1.794 . . . . 0.0 113.451 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 p -53.22 -39.41 63.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.06 1.744 . . . . 0.0 113.34 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.8 -50.45 68.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.313 0.96 . . . . 0.0 109.539 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -54.62 25.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.117 1.767 . . . . 0.0 113.414 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.32 -45.94 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 118.806 0.73 . . . . 0.0 112.645 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.43 -39.33 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.428 0.691 . . . . 0.0 111.534 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.1 m -54.24 -51.41 64.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.948 1.299 . . . . 0.0 110.05 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -58.72 -60.49 3.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.599 0.76 . . . . 0.0 109.816 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.435 ' CH2' HG22 ' B' ' 148' ' ' VAL . 10.8 t90 -51.39 -45.05 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -45.24 93.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 111.747 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.78 -49.49 25.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.32 125.73 24.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 112.988 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -135.43 24.63 3.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.545 1.938 . . . . 0.0 110.395 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.406 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 18.5 ttm-85 -61.96 142.31 57.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.696 2.398 . . . . 0.0 111.607 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -65.04 -19.4 65.97 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.85 31.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.406 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.4 t -65.33 136.53 96.41 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 120.406 1.457 . . . . 0.0 107.317 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -59.99 -11.73 16.43 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 124.026 3.151 . . . . 0.0 116.741 -175.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.3 -49.54 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.497 1.044 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 m -56.17 -48.21 76.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.801 1.64 . . . . 0.0 112.761 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.95 -61.94 4.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.061 -1.447 . . . . 0.0 112.838 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -58.04 -35.62 98.61 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.497 2.131 . . . . 0.0 113.748 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.45 -48.48 64.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.006 0.923 . . . . 0.0 111.793 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -60.8 -51.63 68.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.122 1.769 . . . . 0.0 111.473 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -131.69 95.0 3.62 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.178 1.791 . . . . 0.0 110.922 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.71 103.13 11.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -62.3 107.98 1.01 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.828 1.251 . . . . 0.0 112.018 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -147.69 121.52 9.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.18 1.792 . . . . 0.0 110.936 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.99 112.17 8.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.427 1.891 . . . . 0.0 109.494 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.38 2.272 . . . . 0.0 111.507 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.579 0.228 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -145.59 161.56 39.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.877 1.671 . . . . 0.0 111.156 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 49.9 tp -113.46 -42.67 3.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.032 1.733 . . . . 0.0 112.56 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.52 41.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.493 1.117 . . . . 0.0 112.754 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 91.8 m -130.08 76.91 1.75 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.743 2.017 . . . . 0.0 106.811 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -38.59 -47.88 1.37 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.581 2.352 . . . . 0.0 112.597 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.67 96.38 4.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 127.009 2.124 . . . . 0.0 107.458 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.89 -37.48 76.69 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.387 0.675 . . . . 0.0 111.744 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -40.61 -39.7 1.87 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 127.085 2.279 . . . . 0.0 113.827 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -42.5 -62.0 1.08 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.124 2.169 . . . . 0.0 112.487 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 75.0 m -77.12 -40.77 44.58 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.769 2.027 . . . . 0.0 112.223 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 90.5 mtp -56.23 -39.13 72.04 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.166 0.986 . . . . 0.0 112.004 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.94 -42.72 90.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.579 1.552 . . . . 0.0 112.927 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.28 -46.31 80.98 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.0 m -135.18 -6.5 2.32 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 117.624 2.453 . . . . 0.0 117.624 -172.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.91 -104.26 1.29 Allowed Glycine 0 N--CA 1.47 0.908 0 CA-C-N 120.195 1.362 . . . . 0.0 111.342 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' B' ' 115' ' ' LEU . 0.2 OUTLIER -139.54 118.12 8.84 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.716 1.606 . . . . 0.0 108.858 178.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -81.43 -173.88 1.98 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.989 3.126 . . . . 0.0 112.671 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.32 66.21 1.0 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.911 1.684 . . . . 0.0 108.315 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.24 168.55 15.56 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.092 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 70.0 p -136.98 174.2 10.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.432 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.9 p -52.3 -55.5 21.01 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.103 1.361 . . . . 0.0 109.0 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -50.23 -61.54 2.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.43 1.492 . . . . 0.0 112.359 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.74 -50.82 65.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.9 0.773 . . . . 0.0 112.869 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.89 -49.9 73.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.569 0.748 . . . . 0.0 112.168 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.61 -42.74 83.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.778 1.231 . . . . 0.0 111.602 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.94 -51.26 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.988 1.715 . . . . 0.0 111.871 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -71.9 -39.18 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.36 74.59 60.61 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.392 1.077 . . . . 0.0 112.215 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.14 140.11 86.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.911 3.074 . . . . 0.0 113.774 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.6 mt -69.45 128.42 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.791 1.236 . . . . 0.0 108.241 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.98 -47.2 84.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -83.29 176.05 52.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.675 1.131 . . . . 0.0 113.189 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -65.04 -20.04 66.29 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.102 1.361 . . . . 0.0 114.26 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.39 161.01 17.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -127.7 -140.23 0.25 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.01 1.324 . . . . 0.0 109.636 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.73 111.75 1.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.646 1.566 . . . . 0.0 114.245 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 135.98 57.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 130.346 3.458 . . . . 0.0 108.866 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -125.21 159.24 32.06 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.867 1.802 . . . . 0.0 115.867 -173.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 38.54 -128.94 1.82 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 128.379 2.895 . . . . 0.0 117.642 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.03 -38.6 57.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.977 1.311 . . . . 0.0 113.747 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -56.54 -31.7 64.4 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.931 0.893 . . . . 0.0 112.138 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.75 -60.96 2.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.149 0.886 . . . . 0.0 108.899 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.01 -40.8 81.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.641 0.776 . . . . 0.0 111.708 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -57.36 -48.83 78.0 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.873 0.869 . . . . 0.0 110.852 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.98 86.92 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.46 1.104 . . . . 0.0 111.046 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.1 -38.76 92.46 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.097 -1.002 . . . . 0.0 113.037 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.56 -31.68 73.01 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.168 1.387 . . . . 0.0 113.717 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.87 -23.36 43.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.685 1.194 . . . . 0.0 114.091 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' VAL . . . . . 0.435 HG22 ' CH2' ' A' ' 74' ' ' TRP . 33.2 t -62.35 -48.75 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.366 1.867 . . . . 0.0 112.199 179.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.3 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.935 2.494 . . . . 0.0 113.493 -172.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -140.3 133.28 14.88 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.351 1.46 . . . . 0.0 111.827 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.68 -45.67 26.97 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.169 3.246 . . . . 0.0 115.086 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.12 -43.64 98.57 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 111.47 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -62.85 -30.69 71.69 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.374 -0.828 . . . . 0.0 111.847 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -65.21 -40.43 94.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.286 0.948 . . . . 0.0 110.287 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -59.08 -44.05 91.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.189 0.996 . . . . 0.0 110.809 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.27 -52.05 67.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -55.08 -51.99 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.744 1.217 . . . . 0.0 110.118 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.95 -53.8 14.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.042 1.737 . . . . 0.0 111.7 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -53.72 -59.01 5.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.49 1.116 . . . . 0.0 110.484 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.03 -38.71 68.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.17 -58.97 5.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.096 1.758 . . . . 0.0 109.155 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.705 1.202 . . . . 0.0 111.942 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.94 -48.24 80.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.617 1.099 . . . . 0.0 112.153 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.3 -45.5 93.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.713 1.205 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.69 -48.84 79.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.941 0.497 . . . . 0.0 110.602 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.42 -52.33 59.73 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.351 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.02 -47.63 3.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.546 1.538 . . . . 0.0 114.686 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -78.63 -46.65 18.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.821 1.248 . . . . 0.0 112.31 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -50.96 -51.2 54.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.916 1.286 . . . . 0.0 110.731 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.56 -56.55 8.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.469 3.108 . . . . 0.0 111.221 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.7 -51.45 63.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.207 1.003 . . . . 0.0 110.812 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -55.03 -50.46 69.0 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -57.5 -51.67 68.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 111.289 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -57.33 -46.77 82.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.295 1.438 . . . . 0.0 111.746 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -64.24 -46.65 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.344 1.058 . . . . 0.0 111.716 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.99 75.35 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.227 1.411 . . . . 0.0 112.405 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.49 97.24 3.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.085 1.354 . . . . 0.0 111.23 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.8 76.14 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.502 1.049 . . . . 0.0 111.236 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -138.75 -79.85 0.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.983 1.713 . . . . 0.0 109.599 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -81.24 127.87 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -55.59 121.16 8.45 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.453 0.701 . . . . 0.0 110.463 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.49 74.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.902 . . . . 0.0 112.95 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.15 146.23 54.59 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.85 1.66 . . . . 0.0 115.113 -174.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.3 p -135.73 -58.87 0.77 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.445 2.298 . . . . 0.0 111.998 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.2 138.44 94.47 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.706 2.002 . . . . 0.0 112.121 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.41 -55.05 0.4 Allowed 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.892 2.395 . . . . 0.0 113.823 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -71.76 3.86 3.76 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 t -50.49 -48.22 56.87 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.122 0.874 . . . . 0.0 110.332 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -50.56 -41.72 54.51 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 174.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -58.73 -56.2 25.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 108.522 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -36.16 73.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.077 . . . . 0.0 112.957 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -63.52 -46.56 85.45 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.25 1.841 . . . . 0.0 112.046 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -57.68 -47.47 82.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.485 0.714 . . . . 0.0 109.865 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.52 -58.5 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.152 1.781 . . . . 0.0 110.056 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -44.21 -56.2 4.28 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.945 2.898 . . . . 0.0 112.13 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -51.55 -57.89 7.83 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.281 1.032 . . . . 0.0 111.163 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -57.11 -46.72 82.39 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -45.93 19.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.999 2.12 . . . . 0.0 112.954 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -43.7 96.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.734 0.813 . . . . 0.0 112.91 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -71.99 -41.7 67.33 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.377 1.071 . . . . 0.0 112.308 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.406 ' CB ' HH22 ' A' ' 68' ' ' ARG . 18.8 t -60.52 146.9 43.25 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.143 2.177 . . . . 0.0 111.991 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -131.92 -1.14 3.76 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.695 1.598 . . . . 0.0 112.982 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.46 -69.8 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.288 1.035 . . . . 0.0 111.697 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.0 -73.14 1.29 Allowed Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.875 1.226 . . . . 0.0 112.743 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -56.76 -44.93 82.24 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.993 1.717 . . . . 0.0 111.748 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.22 -5.54 24.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.5 t -66.6 124.94 24.21 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.223 1.374 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.73 -30.7 71.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.828 1.251 . . . . 0.0 113.504 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.33 113.99 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.832 1.253 . . . . 0.0 110.042 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.03 -56.17 6.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.444 1.897 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -61.57 -44.69 96.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.094 1.357 . . . . 0.0 113.52 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.26 -50.69 70.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.307 1.443 . . . . 0.0 110.835 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.1 13.55 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.01 . . . . 0.0 110.234 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -57.54 -51.77 68.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.822 2.449 . . . . 0.0 115.924 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 p -53.38 -30.27 38.93 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.208 1.803 . . . . 0.0 114.867 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.406 HH22 ' CB ' ' A' ' 53' ' ' CYS . 80.8 mtt85 -59.71 -54.4 46.84 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.088 -1.008 . . . . 0.0 111.812 173.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.0 -48.64 70.2 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.209 1.004 . . . . 0.0 113.362 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 pt -53.71 -44.7 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.093 0.86 . . . . 0.0 112.203 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.2 mm -73.5 -42.05 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.56 0.744 . . . . 0.0 111.494 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 m -52.67 -52.44 55.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.782 1.233 . . . . 0.0 110.648 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -58.96 -60.9 3.13 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.299 1.04 . . . . 0.0 109.431 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -48.68 -46.64 40.58 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -64.73 -47.84 76.79 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.661 -0.649 . . . . 0.0 112.492 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -67.19 -40.88 86.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.4 t -57.36 132.97 54.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.077 1.751 . . . . 0.0 113.86 -175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 p -131.63 4.76 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 127.286 2.234 . . . . 0.0 111.963 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.84 120.43 9.55 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.458 1.503 . . . . 0.0 108.98 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -2.84 6.95 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.14 23.86 1.66 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.539 1.535 . . . . 0.0 114.696 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.94 136.52 95.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 119.682 1.128 . . . . 0.0 108.301 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -56.77 -21.53 40.34 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.78 2.987 . . . . 0.0 116.491 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.63 -50.2 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.493 1.042 . . . . 0.0 111.376 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -55.91 -48.83 74.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.095 1.758 . . . . 0.0 112.8 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.08 -62.94 2.77 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.321 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -58.15 -41.28 68.98 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.075 1.85 . . . . 0.0 113.305 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 -44.26 91.66 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.405 -0.809 . . . . 0.0 111.951 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -63.82 -57.19 10.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.846 1.258 . . . . 0.0 110.678 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -146.27 122.82 11.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.717 1.607 . . . . 0.0 112.322 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.87 115.99 13.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.865 1.266 . . . . 0.0 110.123 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.9 m -63.64 161.27 15.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.412 1.085 . . . . 0.0 110.948 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.16 112.35 1.87 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.378 -0.826 . . . . 0.0 111.681 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.72 153.8 44.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.194 2.197 . . . . 0.0 110.749 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.545 1.938 . . . . 0.0 110.335 178.41 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.673 0.273 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -145.61 160.56 41.49 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.266 1.826 . . . . 0.0 110.65 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -116.53 -47.23 2.74 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.919 1.687 . . . . 0.0 111.121 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -39.51 -57.59 1.42 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.661 1.985 . . . . 0.0 113.069 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 77.3 m -132.52 68.22 1.51 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -44.59 137.06 4.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.574 1.55 . . . . 0.0 112.015 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 mp 51.7 68.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.035 1.334 . . . . 0.0 110.213 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.48 -35.38 60.51 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.546 0.739 . . . . 0.0 111.153 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -39.37 -36.91 0.68 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 127.548 2.499 . . . . 0.0 113.9 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -47.29 -63.75 0.96 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.701 2.0 . . . . 0.0 112.032 174.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 66.2 m -71.03 -38.79 72.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.44 1.896 . . . . 0.0 112.173 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 81.6 mtp -60.22 -35.55 75.69 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.681 0.792 . . . . 0.0 111.459 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.43 -47.39 76.38 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.948 1.299 . . . . 0.0 111.388 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.26 -49.22 76.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.158 1.383 . . . . 0.0 114.319 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -127.88 -5.73 5.65 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 -171.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 67.68 -109.86 3.14 Favored Glycine 0 N--CA 1.47 0.903 0 CA-C-N 120.06 1.3 . . . . 0.0 111.259 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 115' ' ' LEU . 0.2 OUTLIER -128.41 112.96 19.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.501 1.52 . . . . 0.0 107.831 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.38 173.39 14.36 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.03 2.487 . . . . 0.0 114.049 -173.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -119.9 69.07 0.84 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.101 1.76 . . . . 0.0 107.635 172.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.22 173.01 6.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.329 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -138.73 168.6 19.44 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.265 -0.897 . . . . 0.0 110.353 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.1 p -53.95 -53.14 56.86 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.803 0.841 . . . . 0.0 109.384 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.75 -56.3 14.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.383 1.473 . . . . 0.0 112.024 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.69 -52.95 44.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.474 0.71 . . . . 0.0 111.859 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.4 m -61.74 -48.87 78.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.719 0.808 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.12 -37.37 69.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.937 1.295 . . . . 0.0 112.436 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.91 -53.0 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.841 2.057 . . . . 0.0 112.456 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -75.82 -32.79 59.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.092 1.357 . . . . 0.0 114.185 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.22 72.63 59.16 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.204 1.402 . . . . 0.0 110.85 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.53 143.11 95.34 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.314 2.676 . . . . 0.0 111.862 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.4 mt -65.23 145.21 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 124.169 0.987 . . . . 0.0 108.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -55.94 -47.83 76.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.831 0.852 . . . . 0.0 112.374 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -92.24 -163.68 38.0 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.085 1.326 . . . . 0.0 111.153 175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 37.7 m -58.43 134.0 56.26 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.195 -1.18 . . . . 0.0 110.716 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -57.31 115.47 2.71 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.205 0.602 . . . . 0.0 111.359 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -148.02 128.05 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.363 2.265 . . . . 0.0 108.721 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 mt -88.22 104.2 16.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.958 0.885 . . . . 0.0 112.826 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 118.19 7.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.868 2.467 . . . . 0.0 107.759 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -150.69 166.73 29.48 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.116 0.966 . . . . 0.0 113.192 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.62 -148.54 33.87 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.097 1.332 . . . . 0.0 112.934 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.9 -32.51 61.06 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.993 1.397 . . . . 0.0 113.015 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -51.18 -34.52 31.98 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.948 1.299 . . . . 0.0 112.402 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.86 -62.04 2.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.147 0.979 . . . . 0.0 109.298 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.48 -40.71 75.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.22 1.008 . . . . 0.0 111.298 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.2 -47.34 83.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.688 1.195 . . . . 0.0 110.677 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.13 -46.54 83.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.458 1.103 . . . . 0.0 111.68 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.65 -34.28 77.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.619 1.167 . . . . 0.0 112.095 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.64 -42.32 98.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.551 1.541 . . . . 0.0 113.06 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -52.59 -17.95 1.51 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.44 -37.05 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.921 1.688 . . . . 0.0 111.857 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.751 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.492 0.187 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -142.24 136.61 15.0 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.623 1.569 . . . . 0.0 111.673 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -52.96 -54.27 5.37 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.558 2.838 . . . . 0.0 113.559 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -62.35 -40.42 96.35 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.38 -0.825 . . . . 0.0 112.158 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.02 -38.2 72.81 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.03 1.286 . . . . 0.0 110.937 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -62.88 -46.04 89.71 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.337 0.972 . . . . 0.0 110.494 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.61 -47.07 73.86 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.603 1.161 . . . . 0.0 111.468 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.95 -48.15 82.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.58 1.552 . . . . 0.0 111.16 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.66 -49.57 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.164 1.386 . . . . 0.0 110.157 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -51.13 -51.23 55.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.654 1.582 . . . . 0.0 110.945 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -53.91 50.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.034 0.934 . . . . 0.0 110.722 175.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -58.53 -40.83 84.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.57 -55.7 28.88 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.134 1.774 . . . . 0.0 108.826 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.34 -53.64 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.27 1.428 . . . . 0.0 112.57 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.03 -42.2 80.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.952 1.251 . . . . 0.0 111.899 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.17 -47.63 83.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 0.0 111.797 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 mt -58.77 -50.7 72.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.932 0.893 . . . . 0.0 110.097 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.5 -51.42 62.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.115 1.366 . . . . 0.0 110.685 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.08 -45.54 8.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.242 1.417 . . . . 0.0 113.909 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -72.23 -49.13 37.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.328 1.051 . . . . 0.0 111.835 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -52.65 -45.2 66.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.968 1.307 . . . . 0.0 111.087 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.33 -48.44 78.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.475 2.71 . . . . 0.0 111.408 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.08 -43.98 78.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.019 -1.051 . . . . 0.0 111.119 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -62.61 -50.24 72.05 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.127 0.971 . . . . 0.0 110.813 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -51.92 -53.99 34.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.18 1.792 . . . . 0.0 111.368 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.89 -50.33 57.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.233 1.813 . . . . 0.0 112.091 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.98 -46.34 88.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.987 1.315 . . . . 0.0 111.825 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.46 -57.48 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.959 1.304 . . . . 0.0 112.02 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -152.21 111.23 3.85 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.34 1.856 . . . . 0.0 110.775 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.26 178.78 44.25 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.987 1.28 . . . . 0.0 112.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -150.21 -76.46 0.15 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.007 1.323 . . . . 0.0 110.731 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.72 -66.58 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.852 1.261 . . . . 0.0 108.609 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -146.54 116.09 7.14 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.804 2.042 . . . . 0.0 110.471 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -7.46 53.63 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.655 1.182 . . . . 0.0 111.386 172.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.98 169.49 8.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 129.75 3.22 . . . . 0.0 115.251 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -137.16 -12.13 1.66 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.15 2.58 . . . . 0.0 114.338 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.02 128.54 25.33 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-N 120.124 1.329 . . . . 0.0 113.503 -172.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.87 -54.52 5.32 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.097 3.198 . . . . 0.0 115.536 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -80.22 1.68 27.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.3 t -49.12 -46.06 44.44 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.514 1.052 . . . . 0.0 111.38 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -49.62 -47.63 49.56 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.444 1.898 . . . . 0.0 112.472 174.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -56.46 -54.24 48.09 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.671 1.188 . . . . 0.0 109.404 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -39.43 88.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.127 -0.94 . . . . 0.0 112.652 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.27 -47.54 85.54 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.876 1.671 . . . . 0.0 111.346 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -57.04 -47.84 79.97 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.164 0.586 . . . . 0.0 110.251 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.12 -48.56 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.587 1.555 . . . . 0.0 111.169 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.31 -49.71 66.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.795 2.438 . . . . 0.0 111.845 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -59.45 -43.6 93.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.127 . . . . 0.0 111.751 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.66 -52.41 45.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.565 0.746 . . . . 0.0 111.212 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE3' HD22 ' B' ' 141' ' ' LEU . 26.4 mtp -39.97 -52.48 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.341 2.657 . . . . 0.0 114.424 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 p -59.06 -47.05 86.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.052 0.941 . . . . 0.0 112.774 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -72.88 -43.14 62.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.742 1.617 . . . . 0.0 112.946 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' HB3' HH22 ' A' ' 68' ' ' ARG . 45.7 t -60.11 120.79 10.4 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.646 1.978 . . . . 0.0 113.317 -178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -101.16 -10.48 20.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.477 1.511 . . . . 0.0 113.577 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.78 88.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.281 1.432 . . . . 0.0 113.499 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.1 -107.82 1.63 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.749 1.166 . . . . 0.0 112.761 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -57.15 -40.91 78.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.16 62.37 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.07 127.19 30.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.81 1.186 . . . . 0.0 110.79 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.78 -30.49 71.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.259 1.424 . . . . 0.0 113.817 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.54 118.47 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 110.622 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.63 -57.02 6.88 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.943 1.697 . . . . 0.0 113.107 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.79 -43.85 94.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.537 1.535 . . . . 0.0 113.116 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.76 -47.08 83.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.348 1.459 . . . . 0.0 111.901 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -56.07 18.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.497 0.719 . . . . 0.0 110.026 175.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.2 m -54.39 -53.37 54.89 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.472 2.309 . . . . 0.0 115.145 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -45.12 -45.07 11.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.405 2.282 . . . . 0.0 114.438 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 HH22 ' HB3' ' A' ' 53' ' ' CYS . 27.6 mtt180 -55.78 -41.01 73.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.765 0.826 . . . . 0.0 111.752 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.97 -51.45 54.98 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.802 1.183 . . . . 0.0 112.451 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -53.58 -44.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.652 1.114 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mm -70.64 -39.15 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -53.94 -53.63 50.07 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.641 0.655 . . . . 0.0 110.078 173.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -54.16 -64.78 0.72 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.254 1.021 . . . . 0.0 111.137 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -50.37 -48.12 55.93 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -66.78 -41.68 87.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -71.71 -41.02 69.09 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.3 t -57.14 129.7 42.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.277 1.831 . . . . 0.0 113.467 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.7 p -127.0 12.48 7.2 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.068 2.147 . . . . 0.0 112.155 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -64.63 139.58 58.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.985 1.714 . . . . 0.0 110.943 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -72.01 -23.21 61.36 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.98 34.99 1.56 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.55 136.96 96.95 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.69 -10.01 12.99 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.381 3.387 . . . . 0.0 117.119 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -126.42 -52.73 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.311 1.045 . . . . 0.0 110.267 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.83 -46.44 71.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.545 1.538 . . . . 0.0 112.328 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.66 -62.56 5.63 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-O 117.283 -1.341 . . . . 0.0 112.307 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -53.24 -41.02 75.52 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.081 1.779 . . . . 0.0 112.67 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.18 -57.92 10.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.756 0.823 . . . . 0.0 112.269 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -58.82 -35.96 73.73 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.953 1.252 . . . . 0.0 112.847 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -65.97 -51.56 57.38 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.158 1.383 . . . . 0.0 111.199 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.05 94.99 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.168 . . . . 0.0 112.499 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -56.07 120.3 7.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.094 1.757 . . . . 0.0 111.961 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -73.12 93.14 1.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.547 0.739 . . . . 0.0 111.001 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -139.02 155.48 47.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.497 2.319 . . . . 0.0 110.981 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.279 1.431 . . . . 0.0 112.416 178.559 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.029 0.442 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -148.8 107.91 3.9 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.68 1.592 . . . . 0.0 109.946 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -154.89 -59.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.791 1.636 . . . . 0.0 109.78 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 35.04 60.33 0.67 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.287 2.635 . . . . 0.0 114.331 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 36.5 m 45.3 34.18 1.41 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.517 2.327 . . . . 0.0 114.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 0.4 81.16 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 130.577 3.551 . . . . 0.0 115.223 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 26.4 mt -75.55 144.41 41.91 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.342 1.457 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.0 128.13 39.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.226 1.811 . . . . 0.0 109.519 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.83 32.94 84.39 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.157 0.884 . . . . 0.0 111.17 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -39.55 83.9 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.629 1 C-N-CA 131.726 4.01 . . . . 0.0 114.252 -174.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 68.2 m 57.86 4.82 0.3 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.291 1.436 . . . . 0.0 114.217 -173.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 21.2 mmt -67.73 -36.35 80.43 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.068 1.747 . . . . 0.0 109.079 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.18 -41.36 75.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.797 2.039 . . . . 0.0 111.097 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.14 -60.94 2.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.519 1.527 . . . . 0.0 111.257 175.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.2 p -164.96 -54.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.614 1.566 . . . . 0.0 112.543 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.02 -60.71 0.19 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.201 2.334 . . . . 0.0 111.163 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.11 141.13 18.8 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.287 1.835 . . . . 0.0 111.081 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -83.65 177.42 6.29 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.709 2.939 . . . . 0.0 113.004 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -120.33 66.22 0.83 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.743 1.617 . . . . 0.0 108.32 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.9 mt -68.28 165.37 18.67 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 66.4 p -137.9 166.65 23.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.494 1.118 . . . . 0.0 110.436 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p -52.22 -50.31 62.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.836 0.855 . . . . 0.0 110.265 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -51.52 -57.71 8.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.651 1.58 . . . . 0.0 111.882 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -52.41 -52.38 54.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.693 0.797 . . . . 0.0 112.119 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.04 -50.15 75.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.304 1.042 . . . . 0.0 112.417 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -49.61 73.22 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.426 1.091 . . . . 0.0 111.749 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.9 t -59.98 -52.39 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.573 1.949 . . . . 0.0 112.492 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -73.48 -37.06 65.87 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.62 75.15 69.24 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.976 0.91 . . . . 0.0 112.484 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -51.62 126.96 21.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.26 3.306 . . . . 0.0 113.416 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 18.8 mt -71.81 129.59 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.31 1.444 . . . . 0.0 110.237 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.64 158.39 32.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 111.85 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.65 -135.09 26.51 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 120.803 -1.185 . . . . 0.0 112.97 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -134.72 66.14 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.603 1.161 . . . . 0.0 113.057 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -142.84 162.52 35.24 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.323 2.249 . . . . 0.0 110.135 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -141.56 -44.98 0.36 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.85 0.86 . . . . 0.0 113.244 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.12 135.64 54.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.505 1.122 . . . . 0.0 110.868 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 114.84 21.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 130.143 3.377 . . . . 0.0 105.239 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -148.32 166.71 27.22 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 -142.28 35.17 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.039 1.304 . . . . 0.0 112.956 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.77 -35.77 61.66 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.143 0.972 . . . . 0.0 112.769 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.31 -38.4 52.76 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.007 1.323 . . . . 0.0 112.389 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.423 HD22 ' HE3' ' A' ' 50' ' ' MET . 27.7 mt -54.88 -63.52 1.13 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.504 1.121 . . . . 0.0 109.228 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.27 -43.23 70.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.679 1.191 . . . . 0.0 111.519 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -56.18 -49.68 73.34 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.302 1.041 . . . . 0.0 110.935 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.77 78.1 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 112.099 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.93 -42.05 88.82 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.556 1.071 . . . . 0.0 111.799 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.92 -27.93 69.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.175 1.39 . . . . 0.0 114.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.31 -13.64 14.0 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.62 -59.62 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.877 1.271 . . . . 0.0 110.048 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.144 0 C-N-CA 128.347 2.659 . . . . 0.0 114.701 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.556 0.217 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.78 137.47 15.16 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.769 1.628 . . . . 0.0 111.024 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.7 -38.46 71.35 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.888 2.392 . . . . 0.0 113.513 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.49 -34.12 73.86 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.725 -1.234 . . . . 0.0 111.423 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.12 -41.53 98.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.885 -1.134 . . . . 0.0 109.499 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.51 -45.99 87.65 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.832 173.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -51.74 -50.38 60.7 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 119.822 1.192 . . . . 0.0 111.109 172.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.68 -47.28 85.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.611 1.165 . . . . 0.0 111.69 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.44 -46.78 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.39 1.476 . . . . 0.0 110.738 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.24 -54.81 22.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.919 1.288 . . . . 0.0 110.931 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.298 4.6 pp0? -63.06 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.262 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -53.1 -47.19 68.77 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.824 1.647 . . . . 0.0 111.399 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.78 -57.86 10.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.118 1.767 . . . . 0.0 109.482 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.53 -48.96 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.306 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.02 -46.96 86.88 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.598 1.09 . . . . 0.0 112.041 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.22 -45.1 92.01 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 110.94 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.95 -47.07 87.32 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.827 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -51.97 -52.01 53.36 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.115 0.87 . . . . 0.0 110.785 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.0 5.75 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.308 1.043 . . . . 0.0 113.134 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -73.22 -41.91 63.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.477 0.711 . . . . 0.0 112.656 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.81 -52.44 56.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.44 1.496 . . . . 0.0 111.028 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.9 t . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 129.168 2.987 . . . . 0.0 110.017 175.588 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.5 t -47.01 -52.83 13.87 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 112.487 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -52.96 -41.43 64.52 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.675 1.19 . . . . 0.0 113.117 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -59.5 -51.95 67.66 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.55 0.74 . . . . 0.0 109.398 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.72 -36.11 79.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.946 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -60.64 -43.08 97.98 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 120.9 1.682 . . . . 0.0 111.108 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.92 -47.18 87.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.545 0.738 . . . . 0.0 110.086 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.8 -48.24 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 0.0 110.474 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.17 -52.45 51.85 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.44 2.296 . . . . 0.0 111.622 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -55.86 -48.31 75.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.579 1.152 . . . . 0.0 111.454 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.3 -51.82 68.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.811 0.845 . . . . 0.0 111.423 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.9 mtp -46.1 -48.54 17.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.829 1.652 . . . . 0.0 114.256 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.8 -40.83 98.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.982 0.913 . . . . 0.0 113.12 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.52 -50.95 14.12 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.885 1.274 . . . . 0.0 112.449 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.65 142.25 58.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.064 1.746 . . . . 0.0 111.245 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -130.17 0.8 4.67 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.528 1.931 . . . . 0.0 112.687 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -38.22 78.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.289 1.436 . . . . 0.0 113.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.4 -98.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.987 1.755 . . . . 0.0 113.883 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -54.57 -42.81 71.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.463 1.505 . . . . 0.0 111.424 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.6 56.44 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.961 1.704 . . . . 0.0 115.134 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.53 120.18 13.54 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.702 1.137 . . . . 0.0 110.268 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -68.72 -24.9 64.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.768 1.227 . . . . 0.0 113.341 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.8 t -64.31 119.71 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.261 1.424 . . . . 0.0 110.977 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.55 -53.44 14.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.227 1.811 . . . . 0.0 112.092 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -55.1 -54.06 47.94 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 0.0 113.249 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.8 t -55.28 -55.42 31.62 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.155 1.382 . . . . 0.0 111.039 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -45.78 66.14 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.634 1.173 . . . . 0.0 112.681 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.0 m -70.39 -55.91 7.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.574 1.549 . . . . 0.0 113.477 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -52.43 -44.02 65.19 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.046 2.138 . . . . 0.0 114.192 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.37 -46.65 85.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.067 -1.021 . . . . 0.0 110.184 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -55.64 32.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.148 1.779 . . . . 0.0 112.477 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.87 -46.96 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.346 0.975 . . . . 0.0 112.895 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.39 -40.39 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 118.508 0.594 . . . . 0.0 111.037 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.0 m -55.03 -48.11 73.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.648 0.779 . . . . 0.0 110.7 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -58.11 -63.06 1.39 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.782 0.833 . . . . 0.0 109.644 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -50.86 -44.29 59.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -59.51 -51.74 68.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.263 1.425 . . . . 0.0 112.14 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -73.11 -41.66 63.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.28 121.63 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.923 1.689 . . . . 0.0 112.81 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -134.53 23.2 3.7 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.411 2.285 . . . . 0.0 110.36 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -63.65 149.38 46.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 128.669 2.788 . . . . 0.0 111.995 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -48.97 -55.92 10.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.618 1.567 . . . . 0.0 111.133 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -147.71 123.56 10.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.633 1.573 . . . . 0.0 111.036 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.86 142.6 42.73 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 128.009 2.523 . . . . 0.0 105.776 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -61.69 -4.68 4.81 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.987 3.124 . . . . 0.0 116.874 -175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.62 -52.51 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.616 1.098 . . . . 0.0 110.502 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.81 -52.13 51.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.872 2.069 . . . . 0.0 112.772 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.6 -61.88 4.95 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.879 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -58.14 -35.85 98.38 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.266 1.977 . . . . 0.0 113.222 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.54 -49.1 72.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.139 -0.976 . . . . 0.0 111.997 175.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 125.594 1.557 . . . . 0.0 111.421 177.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.854 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 93.3 mt -122.42 124.5 26.78 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.795 1.638 . . . . 0.0 108.696 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -81.63 179.21 5.91 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.684 2.922 . . . . 0.0 112.827 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -115.94 62.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.3 1.44 . . . . 0.0 109.191 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.44 166.83 19.56 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.978 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -139.74 168.36 20.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.602 1.161 . . . . 0.0 110.706 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p -52.53 -52.77 53.09 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.304 1.042 . . . . 0.0 109.355 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -51.71 -57.87 7.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.458 1.503 . . . . 0.0 112.233 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.13 -52.27 59.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.946 0.899 . . . . 0.0 111.896 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.07 -48.24 82.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.463 1.105 . . . . 0.0 112.113 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.05 -46.85 75.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.501 1.52 . . . . 0.0 111.578 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 t -63.68 -50.75 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 126.434 1.894 . . . . 0.0 112.109 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.36 -43.08 61.39 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.6 75.71 68.23 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.658 1.183 . . . . 0.0 111.559 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.29 135.71 70.23 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.941 3.094 . . . . 0.0 113.936 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.1 mt -63.61 128.87 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.576 1.55 . . . . 0.0 108.903 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 123.952 0.901 . . . . 0.0 111.992 -179.457 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.668 0.747 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 123.51 16.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.004 2.121 . . . . 0.0 107.035 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.89 164.34 32.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 61.64 -139.98 47.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.9 1.715 . . . . 0.0 114.553 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.84 -42.43 47.33 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.791 1.237 . . . . 0.0 113.175 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -54.27 -32.33 55.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.06 1.344 . . . . 0.0 112.923 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -56.96 -60.09 4.09 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.313 0.961 . . . . 0.0 109.237 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -57.25 -42.39 81.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.173 0.989 . . . . 0.0 111.219 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -57.95 -46.99 84.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.949 1.3 . . . . 0.0 110.938 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.71 84.96 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.32 1.048 . . . . 0.0 110.821 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.49 -30.75 71.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.98 -1.075 . . . . 0.0 113.1 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.52 -38.62 90.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.575 1.15 . . . . 0.0 112.631 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.27 -15.52 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.101 1.76 . . . . 0.0 115.395 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.87 -37.17 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.812 1.645 . . . . 0.0 111.769 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.292 1.437 . . . . 0.0 114.722 -176.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -121.09 83.68 38.69 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.5 -106.52 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.618 2.878 . . . . 0.0 108.216 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -61.3 -18.09 56.8 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.25 -1.531 . . . . 0.0 112.214 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.43 -22.8 65.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.675 1.19 . . . . 0.0 112.11 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -53.17 -53.55 48.94 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.427 . . . . 0.0 109.707 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -54.75 -49.73 70.15 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.7 2.0 . . . . 0.0 111.083 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -56.68 -55.81 29.39 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.291 1.436 . . . . 0.0 111.378 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.59 -51.48 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.969 1.307 . . . . 0.0 110.201 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.99 -51.96 37.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.602 1.161 . . . . 0.0 111.357 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.87 -62.39 1.69 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.288 1.035 . . . . 0.0 110.852 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.71 -40.96 66.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.64 -55.07 39.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 109.082 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.44 -49.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 112.254 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.43 -45.96 80.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.579 1.081 . . . . 0.0 111.874 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.91 -44.11 96.96 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.877 0.871 . . . . 0.0 111.857 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.77 -48.59 81.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.478 0.711 . . . . 0.0 109.794 175.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -52.91 -53.86 43.22 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.543 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.9 -52.37 2.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.272 1.429 . . . . 0.0 114.034 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -80.22 -38.83 30.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.185 -0.947 . . . . 0.0 113.108 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -54.42 -40.24 68.1 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.537 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 130.234 3.414 . . . . 0.0 109.778 174.383 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.8 m170 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -51.69 -48.08 63.63 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.334 1.454 . . . . 0.0 111.056 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -46.13 -50.56 15.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 111.828 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -62.42 -51.74 66.32 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.657 1.183 . . . . 0.0 110.643 177.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.0 mmt -58.63 -37.59 76.24 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -62.42 -41.4 98.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.583 1.538 . . . . 0.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -61.91 -49.48 76.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.603 0.761 . . . . 0.0 109.976 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.44 -51.87 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.184 1.394 . . . . 0.0 110.382 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.87 -54.08 33.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.66 2.384 . . . . 0.0 111.811 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.94 -46.85 75.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 111.375 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -61.71 -48.59 80.04 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.455 0.702 . . . . 0.0 111.324 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -44.25 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.215 2.606 . . . . 0.0 114.867 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -65.64 -44.26 86.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.747 0.819 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -70.76 -52.84 18.12 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.618 1.167 . . . . 0.0 112.145 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.02 147.44 52.09 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.917 1.287 . . . . 0.0 111.172 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.9 5.11 4.97 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.925 1.69 . . . . 0.0 112.542 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.88 -73.51 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.021 0.929 . . . . 0.0 112.015 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.51 -72.58 1.21 Allowed Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.628 1.109 . . . . 0.0 112.353 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -43.2 -51.74 5.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.078 2.551 . . . . 0.0 114.058 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.47 14.75 12.85 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.736 1.615 . . . . 0.0 114.184 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.08 143.05 58.17 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.738 0.815 . . . . 0.0 110.408 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.27 -40.92 95.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.953 1.301 . . . . 0.0 111.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -71.11 114.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.34 1.456 . . . . 0.0 108.898 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.08 -49.05 69.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.552 0.741 . . . . 0.0 112.107 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -57.07 -29.37 63.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.742 1.617 . . . . 0.0 114.498 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.15 -49.73 75.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 109.785 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.73 63.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.15 0.98 . . . . 0.0 111.602 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -63.52 1.23 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.196 1.399 . . . . 0.0 112.733 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 p -49.8 -43.41 48.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.115 2.166 . . . . 0.0 114.574 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -59.7 -51.18 70.88 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.532 -0.73 . . . . 0.0 110.34 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -54.95 41.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.005 1.722 . . . . 0.0 113.399 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -52.83 -44.17 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.217 0.917 . . . . 0.0 112.704 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.61 -38.66 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.256 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.38 -46.96 66.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.83 0.741 . . . . 0.0 110.211 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -60.42 -66.24 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.176 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -50.72 -43.75 58.05 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.14 -52.28 63.79 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.408 1.483 . . . . 0.0 112.081 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -80.15 -33.72 38.26 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.14 119.27 5.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 113.063 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 p -132.11 23.59 4.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.063 2.545 . . . . 0.0 110.321 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -63.74 148.51 48.98 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 128.097 2.559 . . . . 0.0 111.339 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -51.55 -51.3 56.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.82 1.248 . . . . 0.0 111.164 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.82 131.28 15.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.631 1.572 . . . . 0.0 110.708 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.32 143.03 47.17 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.408 2.283 . . . . 0.0 105.109 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -62.84 -7.08 10.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.501 2.801 . . . . 0.0 116.616 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.05 -51.6 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.4 m -52.5 -48.99 65.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.236 1.814 . . . . 0.0 113.056 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.65 -62.06 5.69 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.625 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -58.37 -40.3 76.41 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.053 1.835 . . . . 0.0 112.71 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.58 -49.39 77.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.74 0.816 . . . . 0.0 111.555 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 124.584 1.154 . . . . 0.0 109.377 176.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.094 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.41 108.6 11.21 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.701 1.601 . . . . 0.0 107.373 172.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.66 169.43 20.87 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.111 2.54 . . . . 0.0 112.768 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -117.78 63.69 0.75 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.541 1.537 . . . . 0.0 108.516 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.63 110.78 4.41 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.485 1.114 . . . . 0.0 108.568 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 51.9 p -72.24 170.61 13.7 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.778 0.799 . . . . 0.0 111.567 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -55.42 -50.57 69.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.618 1.167 . . . . 0.0 109.18 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -53.99 -55.85 23.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.9 1.68 . . . . 0.0 111.222 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -48.8 -60.38 2.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.693 0.797 . . . . 0.0 111.361 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.8 m -56.0 -52.24 64.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.798 1.239 . . . . 0.0 113.022 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -57.78 -46.93 83.9 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.784 1.233 . . . . 0.0 112.461 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.74 -45.93 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 111.449 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.04 -51.85 54.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.672 1.589 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -130.85 75.66 78.34 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.701 1.2 . . . . 0.0 111.726 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.28 133.88 58.05 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.94 3.093 . . . . 0.0 113.092 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 28.1 mt -66.72 144.61 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.246 1.418 . . . . 0.0 109.627 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 123.959 0.904 . . . . 0.0 109.903 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.47 47.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.712 2.805 . . . . 0.0 107.432 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.84 160.33 43.33 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -174.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.55 -149.22 46.48 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 126.276 1.893 . . . . 0.0 114.369 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.06 -31.09 62.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.533 1.167 . . . . 0.0 113.568 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -53.11 -33.12 50.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.309 1.044 . . . . 0.0 111.795 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 52.3 mt -57.23 -63.18 1.31 Allowed 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 108.929 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.48 -42.82 74.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 111.874 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.68 -49.45 76.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.974 1.31 . . . . 0.0 110.547 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.83 88.82 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.843 1.257 . . . . 0.0 111.779 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.26 -44.55 96.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.732 1.213 . . . . 0.0 112.385 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.96 -41.76 75.2 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.721 1.608 . . . . 0.0 114.339 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -47.04 -21.82 0.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.55 -50.52 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -144.4 134.43 11.81 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 111.446 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -47.83 -50.69 11.2 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.845 3.03 . . . . 0.0 114.757 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.9 -40.21 96.87 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.378 -0.826 . . . . 0.0 112.101 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.02 -39.78 82.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.235 0.925 . . . . 0.0 110.442 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.238 0.926 . . . . 0.0 110.992 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -57.27 -46.09 83.42 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.405 1.082 . . . . 0.0 111.109 174.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.43 -48.99 78.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.709 1.204 . . . . 0.0 110.939 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.14 -52.51 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.84 1.256 . . . . 0.0 109.399 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -47.59 -54.22 12.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.312 1.845 . . . . 0.0 112.019 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -52.4 -57.5 9.64 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.689 1.196 . . . . 0.0 110.63 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -57.93 -39.41 77.96 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.299 1.039 . . . . 0.0 113.224 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.94 -58.05 9.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.976 1.71 . . . . 0.0 109.342 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.82 -48.86 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.215 1.406 . . . . 0.0 111.731 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.75 -51.4 69.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.665 0.666 . . . . 0.0 112.74 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.8 -46.72 84.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.008 1.323 . . . . 0.0 112.248 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.06 -54.86 42.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.795 1.238 . . . . 0.0 110.551 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -54.38 -51.52 64.54 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.474 1.11 . . . . 0.0 111.008 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.19 -54.86 4.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.733 1.613 . . . . 0.0 113.817 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -68.57 -43.15 77.19 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -54.94 -50.9 67.72 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.625 1.17 . . . . 0.0 111.142 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 129.662 3.185 . . . . 0.0 110.464 174.539 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 m170 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.32 -44.83 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.283 1.433 . . . . 0.0 110.881 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.77 -48.63 77.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.234 1.414 . . . . 0.0 111.24 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.8 m -58.13 -51.15 70.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.838 1.255 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.7 mmt -57.94 -42.0 83.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.865 1.266 . . . . 0.0 112.162 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -61.88 -41.92 98.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.145 1.378 . . . . 0.0 111.704 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -62.67 -46.86 86.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.504 -0.747 . . . . 0.0 110.268 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.57 -47.37 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.797 1.639 . . . . 0.0 110.432 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -52.19 -51.19 59.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.819 2.048 . . . . 0.0 111.815 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.97 -48.11 79.15 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.072 . . . . 0.0 111.234 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -58.42 -50.18 74.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.1 0.56 . . . . 0.0 111.369 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.4 mtp -48.77 -44.9 39.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.532 1.533 . . . . 0.0 115.056 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.9 p -69.3 -38.53 78.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.277 0.944 . . . . 0.0 112.263 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.85 -54.74 14.01 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.321 1.448 . . . . 0.0 111.444 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.94 147.29 53.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.368 1.867 . . . . 0.0 111.302 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -132.54 10.19 4.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.096 1.758 . . . . 0.0 112.042 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.3 -67.46 0.81 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.097 0.959 . . . . 0.0 112.131 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.78 -71.67 1.1 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.817 1.199 . . . . 0.0 113.372 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.99 -54.75 33.43 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.325 1.85 . . . . 0.0 110.921 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.07 53.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.47 1.508 . . . . 0.0 113.996 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.19 122.96 16.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.374 1.069 . . . . 0.0 110.932 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -66.59 -27.5 67.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.76 1.224 . . . . 0.0 113.184 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.52 118.22 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.403 1.481 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.95 53.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.76 1.624 . . . . 0.0 111.89 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -53.25 -58.52 6.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.88 1.672 . . . . 0.0 112.569 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.02 -55.87 13.0 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.253 1.821 . . . . 0.0 111.849 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.45 -43.44 64.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.931 0.892 . . . . 0.0 112.479 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.98 -57.3 4.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.767 1.627 . . . . 0.0 113.954 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -51.99 -46.48 64.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.258 2.223 . . . . 0.0 113.754 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -56.48 -43.71 79.92 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.389 -0.82 . . . . 0.0 110.773 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -56.21 23.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.229 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 pt -53.79 -42.79 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.782 0.719 . . . . 0.0 112.569 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.52 -39.23 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 118.885 -0.578 . . . . 0.0 111.215 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.0 m -53.19 -47.37 68.92 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.046 0.839 . . . . 0.0 110.293 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.87 -63.52 1.18 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.833 0.853 . . . . 0.0 110.165 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -53.93 -41.1 67.35 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.58 -49.1 78.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.946 1.298 . . . . 0.0 111.566 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -76.38 -44.95 34.05 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.272 1.429 . . . . 0.0 114.851 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.8 t -57.29 132.78 54.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.281 1.832 . . . . 0.0 113.914 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -129.78 3.51 4.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.433 2.293 . . . . 0.0 112.236 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -58.46 118.19 5.32 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.969 1.707 . . . . 0.0 109.822 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 3.25 1.87 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -146.25 20.22 1.39 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.492 1.517 . . . . 0.0 114.722 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.29 137.29 94.4 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-N 119.454 1.024 . . . . 0.0 108.607 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -58.23 -14.91 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 124.008 3.139 . . . . 0.0 116.748 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.62 -52.13 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.598 1.09 . . . . 0.0 111.499 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.89 -48.38 70.16 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.955 1.702 . . . . 0.0 112.685 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.06 -63.47 2.94 Favored Pre-proline 0 CA--C 1.546 0.803 0 CA-C-O 116.904 -1.522 . . . . 0.0 112.465 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -57.42 -37.49 97.26 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.308 2.006 . . . . 0.0 113.112 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.53 -45.02 95.96 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.493 -0.754 . . . . 0.0 111.657 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.145 176.324 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -126.02 115.64 24.06 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.085 1.754 . . . . 0.0 107.448 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.39 171.09 16.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.262 2.642 . . . . 0.0 113.627 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -110.66 63.77 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.258 1.423 . . . . 0.0 108.903 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.38 170.78 11.2 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.656 173.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 52.7 p -140.84 169.32 17.84 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.283 1.033 . . . . 0.0 110.58 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p -54.64 -50.32 68.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.209 1.004 . . . . 0.0 109.455 174.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.68 -57.84 8.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.759 1.624 . . . . 0.0 111.835 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.04 -52.14 52.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.797 0.839 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.06 -49.73 76.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.424 1.09 . . . . 0.0 112.157 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -56.4 -46.72 80.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.949 1.3 . . . . 0.0 111.813 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.1 t -61.38 -50.54 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.164 1.786 . . . . 0.0 112.213 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -75.88 -34.73 60.0 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.82 74.78 37.61 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.492 1.117 . . . . 0.0 112.142 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.5 138.16 65.94 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.19 3.26 . . . . 0.0 114.515 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.27 127.96 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.513 1.925 . . . . 0.0 108.93 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 . . . . . 0 N--CA 1.474 0.733 0 C-N-CA 124.941 1.296 . . . . 0.0 114.211 -176.579 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.12 138.12 26.3 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 129.431 3.093 . . . . 0.0 110.676 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.04 157.25 47.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.144 1.378 . . . . 0.0 114.314 -175.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 53.53 -144.41 25.68 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 127.188 2.328 . . . . 0.0 116.472 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.87 -30.75 62.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.82 -31.05 58.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.947 0.794 . . . . 0.0 111.769 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.85 -64.8 0.76 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.51 -43.42 75.66 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.317 1.447 . . . . 0.0 112.009 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -56.57 -51.22 69.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.821 1.248 . . . . 0.0 110.543 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.15 87.14 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 111.65 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.22 -46.42 90.51 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.273 1.029 . . . . 0.0 112.731 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.54 -20.65 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.35 -22.76 65.23 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.937 1.244 . . . . 0.0 114.067 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 14.2 t -62.19 118.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.386 1.074 . . . . 0.0 109.129 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 123.941 0.896 . . . . 0.0 112.922 178.729 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.536 0.208 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.37 138.52 14.81 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.578 1.551 . . . . 0.0 111.327 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -60.42 -39.31 67.44 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.924 2.416 . . . . 0.0 113.492 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.97 -34.15 74.86 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.92 -1.112 . . . . 0.0 111.26 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.96 -41.73 96.9 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.85 -1.156 . . . . 0.0 109.647 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.1 -44.0 91.91 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.255 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -53.86 -49.37 68.65 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.739 1.154 . . . . 0.0 110.957 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.73 -42.44 97.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.88 1.272 . . . . 0.0 111.543 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.48 -46.7 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 110.143 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -50.99 -56.46 12.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -44.94 94.84 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.941 0.791 . . . . 0.0 111.677 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.487 HE22 HD22 ' B' ' 115' ' ' LEU . 31.8 mm-40 -55.27 -45.51 76.13 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.175 0.898 . . . . 0.0 112.074 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.66 -55.39 34.68 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.266 1.826 . . . . 0.0 109.902 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.5 -51.2 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.415 1.486 . . . . 0.0 112.363 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 28.6 mt -56.29 -47.15 79.23 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.006 0.821 . . . . 0.0 111.688 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.96 -48.83 80.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.08 0.952 . . . . 0.0 112.096 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.2 mt -56.49 -53.33 58.75 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.177 0.991 . . . . 0.0 110.19 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -54.46 -49.96 68.86 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.739 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.25 -47.12 9.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.129 1.372 . . . . 0.0 114.175 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -71.57 -46.4 59.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.562 -0.711 . . . . 0.0 111.465 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -53.18 -41.15 64.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.337 1.855 . . . . 0.0 112.203 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 129.187 2.995 . . . . 0.0 111.219 177.415 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 14.0 t -53.2 -50.49 64.58 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.268 1.027 . . . . 0.0 109.686 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -54.7 -46.38 74.15 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.626 1.57 . . . . 0.0 111.137 174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -54.74 -52.43 62.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.23 1.012 . . . . 0.0 110.459 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.406 ' HG3' ' HB3' ' A' ' 15' ' ' LEU . 35.0 mmt -61.67 -36.91 82.21 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 112.445 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 49.4 mttp -60.56 -40.76 92.8 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.36 1.436 . . . . 0.0 111.424 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -58.61 -49.25 78.17 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.804 0.729 . . . . 0.0 109.805 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.49 -49.0 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.207 1.803 . . . . 0.0 110.403 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.43 -51.59 53.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.046 2.139 . . . . 0.0 112.038 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.26 -44.96 84.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.616 1.166 . . . . 0.0 111.8 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -64.63 -52.28 58.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.638 -0.664 . . . . 0.0 111.397 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.9 mtp -41.97 -51.06 4.52 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.598 1.959 . . . . 0.0 114.747 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -61.61 -46.09 91.32 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.068 0.947 . . . . 0.0 112.744 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -73.2 -32.83 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 113.508 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.4 t -59.02 141.33 54.24 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.806 1.643 . . . . 0.0 112.516 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -131.82 -9.51 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.899 2.079 . . . . 0.0 112.841 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.38 81.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.982 1.313 . . . . 0.0 112.455 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.03 -109.07 2.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.022 1.296 . . . . 0.0 112.535 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -58.86 -38.6 79.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.214 1.406 . . . . 0.0 111.916 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.52 -17.4 61.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.752 1.621 . . . . 0.0 114.872 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.63 118.37 8.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.584 1.084 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -71.55 -22.15 61.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.727 1.211 . . . . 0.0 113.364 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.99 117.66 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.085 1.354 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.31 8.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.195 1.798 . . . . 0.0 112.168 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -54.51 -51.47 65.02 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.975 1.71 . . . . 0.0 113.162 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.32 -57.34 12.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.334 1.454 . . . . 0.0 111.474 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.66 70.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.45 1.1 . . . . 0.0 112.362 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 m -66.19 -57.47 7.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.232 1.413 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -52.21 -45.83 65.4 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.781 2.032 . . . . 0.0 113.545 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -58.27 -43.58 88.0 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.636 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -56.49 20.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.34 1.456 . . . . 0.0 112.963 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -52.58 -45.47 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.048 0.84 . . . . 0.0 112.284 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.97 -38.17 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.301 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.3 m -53.77 -52.87 58.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.057 0.844 . . . . 0.0 110.251 173.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.83 -60.47 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.946 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -52.82 -43.41 65.93 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -44.8 93.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.468 1.107 . . . . 0.0 111.512 176.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.11 -43.93 85.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.568 1.147 . . . . 0.0 112.954 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.7 t -55.67 118.84 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.195 2.198 . . . . 0.0 114.72 -173.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.5 p -127.38 11.42 6.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.986 2.514 . . . . 0.0 111.025 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -59.53 143.85 49.01 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.473 2.309 . . . . 0.0 111.839 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -51.81 -49.79 62.08 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 111.688 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -147.86 127.14 13.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.611 1.564 . . . . 0.0 111.441 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.426 ' H ' ' HB2' ' A' ' 86' ' ' LEU . 1.7 t -130.19 143.56 49.67 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 128.362 2.665 . . . . 0.0 106.168 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -62.01 -6.83 8.52 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.059 3.172 . . . . 0.0 117.484 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.65 -43.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.921 1.237 . . . . 0.0 111.634 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.8 m -58.54 -56.18 25.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.561 1.544 . . . . 0.0 111.406 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' HB2' ' H ' ' A' ' 82' ' ' CYS . 3.4 tm? -37.92 -61.39 0.8 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.371 1.869 . . . . 0.0 115.05 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.0 -38.39 94.77 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.664 2.243 . . . . 0.0 113.798 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.3 mt -73.34 -52.72 12.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.77 1.228 . . . . 0.0 111.605 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 130.711 3.604 . . . . 0.0 111.909 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.12 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 12' ' ' GLN . 77.7 mt -137.04 138.01 24.51 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.983 2.113 . . . . 0.0 109.667 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -82.01 178.84 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.143 2.562 . . . . 0.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -119.19 60.65 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.715 1.606 . . . . 0.0 108.863 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.17 171.22 12.42 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.054 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.7 p -141.48 169.83 16.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.927 1.291 . . . . 0.0 110.246 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -54.4 -51.51 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.975 0.91 . . . . 0.0 109.586 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -51.91 -58.78 5.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.248 1.419 . . . . 0.0 111.805 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.9 -51.33 61.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.156 0.982 . . . . 0.0 111.896 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 74.6 m -61.8 -48.92 78.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.202 1.001 . . . . 0.0 112.251 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.89 -45.55 82.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.863 1.265 . . . . 0.0 111.379 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.976 1.71 . . . . 0.0 111.811 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -73.19 -38.39 66.16 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.0 76.77 57.86 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.993 1.317 . . . . 0.0 111.715 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.25 142.25 68.46 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 124.152 3.235 . . . . 0.0 114.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 20.5 mt -84.31 147.04 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 125.798 1.639 . . . . 0.0 109.655 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.398 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 122.192 0.996 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 120.69 16.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.593 2.357 . . . . 0.0 106.624 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -138.08 161.86 35.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.626 1.171 . . . . 0.0 114.046 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 62.72 -143.43 48.66 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.589 2.042 . . . . 0.0 115.34 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.51 -35.11 52.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.356 1.062 . . . . 0.0 113.292 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -54.23 -34.29 60.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 0.0 112.129 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.44 -59.98 4.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.293 1.037 . . . . 0.0 109.12 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.47 -44.25 80.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.773 1.229 . . . . 0.0 111.498 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -57.01 -49.2 76.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.65 1.18 . . . . 0.0 110.852 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.87 72.34 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.663 1.185 . . . . 0.0 110.924 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.613 1.097 . . . . 0.0 112.586 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.92 -27.87 69.12 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.397 1.479 . . . . 0.0 114.735 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.56 -15.14 10.07 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.41 -51.57 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.809 1.244 . . . . 0.0 110.93 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.4 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.967 2.907 . . . . 0.0 115.441 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.425 0.155 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.16 134.48 13.64 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.389 1.475 . . . . 0.0 111.713 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.4 -49.49 14.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.929 3.086 . . . . 0.0 114.657 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.45 -40.8 96.41 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.091 -1.006 . . . . 0.0 112.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.97 -37.04 75.88 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.926 0.784 . . . . 0.0 110.568 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -64.05 -45.23 89.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.75 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -54.27 -49.36 69.74 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.631 1.105 . . . . 0.0 110.944 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.18 -46.92 84.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.19 1.396 . . . . 0.0 111.102 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.76 -48.66 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.935 1.294 . . . . 0.0 110.752 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -51.04 -55.12 19.07 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.903 1.229 . . . . 0.0 109.927 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -56.44 14.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.893 1.277 . . . . 0.0 111.468 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -55.1 -43.05 73.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.377 1.071 . . . . 0.0 112.588 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -57.09 -57.0 14.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.821 1.649 . . . . 0.0 109.542 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.97 -48.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.331 1.452 . . . . 0.0 112.368 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.89 -47.09 86.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.5 1.045 . . . . 0.0 111.618 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.41 -43.59 92.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.377 1.071 . . . . 0.0 111.935 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.55 -49.84 75.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.793 0.837 . . . . 0.0 110.185 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -54.54 -49.62 69.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.169 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.92 -52.05 5.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.775 1.63 . . . . 0.0 114.243 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -71.99 -42.87 65.96 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.041 -1.037 . . . . 0.0 111.915 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.18 -38.99 71.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.471 1.108 . . . . 0.0 111.979 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.8 t . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 129.474 3.11 . . . . 0.0 109.707 174.688 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.6 m80 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.7 t -52.57 -43.06 65.02 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.291 1.836 . . . . 0.0 111.602 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -44.77 -51.24 9.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.372 1.869 . . . . 0.0 112.933 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -59.42 -51.82 68.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.551 0.74 . . . . 0.0 110.198 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -58.79 -41.36 86.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.825 -0.607 . . . . 0.0 112.626 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -62.62 -45.91 90.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.387 1.475 . . . . 0.0 111.266 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.73 -48.62 80.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.243 0.617 . . . . 0.0 110.463 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.21 -50.55 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.626 1.571 . . . . 0.0 110.677 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.46 -53.24 39.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.383 2.273 . . . . 0.0 111.643 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -55.11 -45.22 75.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.061 0.944 . . . . 0.0 111.674 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -63.11 -50.83 68.94 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.657 -0.652 . . . . 0.0 110.828 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -48.04 11.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.343 2.657 . . . . 0.0 114.947 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -62.61 -45.88 90.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.469 -0.769 . . . . 0.0 112.437 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -69.62 -49.64 52.0 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.472 1.509 . . . . 0.0 112.344 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.3 145.91 54.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.37 1.468 . . . . 0.0 111.107 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -131.75 5.47 4.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.505 1.922 . . . . 0.0 112.383 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.09 -58.0 3.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.987 1.315 . . . . 0.0 112.775 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 -89.09 0.21 Allowed Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.775 1.178 . . . . 0.0 113.436 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -58.18 -47.99 81.69 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.893 1.277 . . . . 0.0 111.283 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.29 -13.8 59.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.387 1.475 . . . . 0.0 114.462 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.1 133.09 49.99 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.174 0.897 . . . . 0.0 111.367 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.03 -32.7 74.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.987 1.315 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.97 114.99 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.4 1.48 . . . . 0.0 110.672 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.15 60.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.563 1.545 . . . . 0.0 112.091 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -60.54 -38.69 85.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.257 1.423 . . . . 0.0 113.693 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.76 -57.23 13.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.423 1.465 . . . . 0.0 109.987 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.34 -44.01 61.91 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.829 1.251 . . . . 0.0 112.436 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -69.16 -58.79 3.59 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.543 1.537 . . . . 0.0 113.566 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 p -51.4 -41.81 60.99 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 114.425 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -61.42 -37.81 84.84 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.939 -1.101 . . . . 0.0 111.988 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -55.2 13.78 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.347 1.859 . . . . 0.0 111.889 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.16 -44.07 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.729 0.695 . . . . 0.0 112.794 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -69.46 -40.18 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.438 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -53.64 -50.66 65.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.961 0.801 . . . . 0.0 109.89 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.05 -63.97 0.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.713 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -52.32 -44.92 65.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.103 1.319 . . . . 0.0 114.153 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -58.96 -46.24 88.55 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.597 1.159 . . . . 0.0 112.071 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -73.91 -40.14 63.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.871 1.268 . . . . 0.0 113.497 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.76 122.71 13.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 113.155 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -134.23 24.72 3.85 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.059 2.544 . . . . 0.0 110.195 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -65.09 149.53 49.72 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 128.459 2.704 . . . . 0.0 112.707 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -51.55 -50.67 59.6 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.938 1.695 . . . . 0.0 111.176 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.91 127.1 9.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.952 1.701 . . . . 0.0 110.782 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -130.73 144.04 51.83 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.866 2.866 . . . . 0.0 105.795 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -63.29 5.71 0.29 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.533 3.489 . . . . 0.0 117.517 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.84 -51.11 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 119.885 1.221 . . . . 0.0 109.693 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.3 m -52.4 -50.09 63.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.384 2.273 . . . . 0.0 112.136 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.33 -64.75 1.22 Allowed Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 116.886 -1.53 . . . . 0.0 112.491 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -58.64 -40.85 69.75 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.236 1.957 . . . . 0.0 113.305 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -57.01 -46.12 82.55 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.186 0.903 . . . . 0.0 111.699 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.5 tttp . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 125.882 1.673 . . . . 0.0 111.173 175.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.6 mt -138.39 120.58 10.64 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 127.33 2.252 . . . . 0.0 108.154 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -79.58 175.03 11.08 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.745 2.297 . . . . 0.0 113.09 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -122.26 68.2 0.94 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.151 1.78 . . . . 0.0 107.952 172.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.0 175.83 4.84 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.348 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -140.57 168.38 19.94 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 109.614 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.1 p -55.34 -47.71 75.31 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.09 -59.22 4.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.234 1.814 . . . . 0.0 111.585 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.31 -52.46 52.93 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.756 0.822 . . . . 0.0 111.718 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.66 -50.42 72.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.822 1.249 . . . . 0.0 112.427 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -53.26 -48.43 68.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.387 1.475 . . . . 0.0 111.703 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.39 -50.97 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.341 1.856 . . . . 0.0 112.602 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -76.25 -41.05 50.32 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.98 81.59 61.88 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 125.954 1.702 . . . . 0.0 111.293 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.01 167.62 5.42 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.738 3.625 . . . . 0.0 115.414 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.65 128.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.448 1.899 . . . . 0.0 108.528 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.935 0.894 . . . . 0.0 113.102 -178.381 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 142.55 56.85 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.664 1.985 . . . . 0.0 110.619 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -128.85 149.72 50.64 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.13 -132.83 4.27 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 127.49 2.471 . . . . 0.0 117.556 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.67 -37.05 58.1 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 114.376 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.73 -31.98 59.06 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.99 -65.35 0.61 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 108.997 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.98 -44.53 70.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.592 1.157 . . . . 0.0 111.48 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -55.3 -51.07 67.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.501 1.121 . . . . 0.0 111.199 175.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.71 96.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.207 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.29 -45.09 93.03 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.095 0.958 . . . . 0.0 112.42 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.17 -35.67 71.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.689 1.596 . . . . 0.0 115.229 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.4 -18.78 0.69 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -61.15 -37.93 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.211 1.404 . . . . 0.0 112.027 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.58 140.78 15.54 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.985 1.314 . . . . 0.0 111.887 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -57.29 -33.62 96.43 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.365 2.71 . . . . 0.0 113.92 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -64.96 -47.89 76.01 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.389 0.995 . . . . 0.0 110.247 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.24 -40.23 93.27 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.808 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -61.67 -48.7 79.64 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.683 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -61.19 -37.9 84.59 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.221 1.373 . . . . 0.0 111.931 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.8 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.962 . . . . 0.0 110.329 173.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -58.02 -49.13 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.605 1.562 . . . . 0.0 110.363 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -51.39 -54.11 29.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.671 1.188 . . . . 0.0 110.799 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -54.45 -57.55 10.9 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.53 1.532 . . . . 0.0 110.55 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.5 -47.23 57.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.945 1.698 . . . . 0.0 112.886 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.52 -55.77 28.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.822 1.649 . . . . 0.0 109.47 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.06 -48.58 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.33 1.452 . . . . 0.0 112.084 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -56.04 -48.5 75.89 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.35 0.977 . . . . 0.0 111.734 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.9 -47.32 83.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.812 1.245 . . . . 0.0 111.796 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.45 -50.44 73.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.581 1.153 . . . . 0.0 110.509 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -54.58 -53.0 60.33 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.744 0.818 . . . . 0.0 110.548 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.57 -49.53 13.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 113.56 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -63.81 -48.0 78.61 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.055 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -56.59 -45.88 81.15 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 119.407 1.003 . . . . 0.0 111.532 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 126.711 2.005 . . . . 0.0 110.327 176.511 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.0 m80 . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.43 -50.23 63.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.277 1.431 . . . . 0.0 111.365 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -52.58 -44.4 65.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.843 1.257 . . . . 0.0 111.89 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -60.76 -49.5 77.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.28 1.032 . . . . 0.0 109.959 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -59.48 -38.58 81.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.342 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -60.68 -42.96 98.17 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.266 1.394 . . . . 0.0 111.415 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -60.18 -48.81 80.18 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.563 0.745 . . . . 0.0 109.925 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.31 -55.72 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.359 1.463 . . . . 0.0 110.041 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -49.42 -55.82 11.79 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.493 2.717 . . . . 0.0 112.261 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -54.92 -45.47 74.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.959 1.304 . . . . 0.0 111.853 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.22 -48.48 70.42 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.712 -0.617 . . . . 0.0 110.58 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.68 -47.9 7.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.077 2.551 . . . . 0.0 114.871 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -63.17 -47.56 82.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.158 0.983 . . . . 0.0 112.407 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.89 -45.39 67.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.577 1.551 . . . . 0.0 112.374 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.72 141.75 57.66 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.302 1.841 . . . . 0.0 111.212 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -126.21 -3.92 6.83 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.329 1.452 . . . . 0.0 112.863 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.6 -55.86 6.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 112.164 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -88.12 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.016 1.293 . . . . 0.0 112.66 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -56.34 -48.53 76.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.832 1.653 . . . . 0.0 111.735 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.52 -13.01 58.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.16 134.01 51.86 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.924 1.238 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.3 -36.06 82.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.237 1.415 . . . . 0.0 113.266 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.04 124.2 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.492 1.517 . . . . 0.0 110.506 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.55 -64.3 0.87 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.496 1.518 . . . . 0.0 112.926 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.975 1.31 . . . . 0.0 114.411 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.78 -47.56 70.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.288 1.435 . . . . 0.0 111.759 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.24 -54.08 42.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.804 1.242 . . . . 0.0 111.494 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m -58.64 -54.09 51.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.279 1.832 . . . . 0.0 114.157 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p -52.69 -34.2 50.97 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.512 1.925 . . . . 0.0 114.026 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -67.62 -52.82 33.79 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.857 0.753 . . . . 0.0 109.794 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -56.09 10.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.695 1.998 . . . . 0.0 112.706 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.51 -45.07 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.7 mm -73.99 -38.54 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.66 0.784 . . . . 0.0 111.615 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -53.45 -48.52 68.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.877 1.271 . . . . 0.0 109.241 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -58.74 -64.99 0.73 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.602 1.161 . . . . 0.0 109.891 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -47.82 -47.05 31.34 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -59.51 -47.88 83.8 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.143 0.977 . . . . 0.0 112.224 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -71.36 -34.73 70.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.325 . . . . 0.0 113.685 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.31 121.56 14.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.14 1.776 . . . . 0.0 113.538 -175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -133.61 29.92 3.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.777 2.831 . . . . 0.0 110.208 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.82 155.41 6.04 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 128.338 2.655 . . . . 0.0 114.072 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -59.6 -50.84 72.33 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 169.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -154.75 128.13 8.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.962 2.105 . . . . 0.0 111.197 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -129.17 142.05 43.87 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.152 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.92 -13.49 27.42 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.411 2.741 . . . . 0.0 116.938 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.22 -51.62 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.473 1.033 . . . . 0.0 110.505 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 82' ' ' CYS . 5.1 m -52.01 -54.05 34.55 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.178 2.191 . . . . 0.0 113.364 -178.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.65 -61.2 6.64 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 117.271 -1.347 . . . . 0.0 111.851 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.23 -43.82 52.41 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.152 1.901 . . . . 0.0 113.442 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.53 -51.59 69.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.163 0.892 . . . . 0.0 111.601 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 125.625 1.57 . . . . 0.0 110.994 178.304 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.538 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.05 123.52 83.44 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.52 0.728 . . . . 0.0 112.231 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.01 -167.54 0.43 Allowed 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.201 3.267 . . . . 0.0 112.145 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.05 62.46 1.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.824 1.649 . . . . 0.0 108.69 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.91 167.93 19.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.522 175.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 73.5 p -138.95 170.47 15.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.49 1.516 . . . . 0.0 109.516 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.2 p -57.62 -47.07 83.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.878 -0.514 . . . . 0.0 109.894 175.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.01 -56.73 12.5 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.088 1.355 . . . . 0.0 111.894 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.21 -49.31 69.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.811 0.844 . . . . 0.0 111.705 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 78.1 m -61.66 -49.47 76.39 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.368 1.067 . . . . 0.0 112.094 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.86 -49.92 69.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.208 1.403 . . . . 0.0 111.256 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.68 -50.4 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.156 1.783 . . . . 0.0 112.174 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -73.82 -39.88 63.76 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.01 79.14 33.38 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.446 1.498 . . . . 0.0 111.49 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.75 141.48 79.0 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.629 2.886 . . . . 0.0 113.965 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.26 141.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.991 1.316 . . . . 0.0 107.75 173.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 N--CA 1.476 0.873 0 CA-C-N 119.067 0.849 . . . . 0.0 112.679 -179.549 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 120.895 0.378 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 136.32 54.34 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.095 2.558 . . . . 0.0 109.762 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -126.81 161.99 26.93 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.82 -136.81 3.73 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 128.007 2.718 . . . . 0.0 117.601 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.45 -36.94 55.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.902 1.281 . . . . 0.0 113.848 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.98 -30.77 62.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.732 0.813 . . . . 0.0 112.249 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.98 -60.58 3.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.56 -44.92 77.28 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.983 1.313 . . . . 0.0 111.552 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -57.12 -49.47 75.79 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.111 0.964 . . . . 0.0 111.092 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.33 85.8 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.498 1.119 . . . . 0.0 111.243 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 mt -59.97 -48.03 83.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.339 1.055 . . . . 0.0 112.435 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.03 -20.04 64.95 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -60.9 -24.8 66.27 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 9.6 t -62.94 122.27 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.422 -0.799 . . . . 0.0 112.747 179.419 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.651 0.262 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.2 134.64 10.85 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.891 1.676 . . . . 0.0 111.377 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -58.18 -36.12 98.12 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.39 2.727 . . . . 0.0 113.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.39 -56.84 13.04 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.692 1.133 . . . . 0.0 110.109 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -53.61 -41.78 67.0 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.386 174.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.33 -55.19 36.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.644 1.111 . . . . 0.0 111.347 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.06 -34.52 75.03 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 121.013 1.733 . . . . 0.0 113.538 177.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.51 -43.88 98.07 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.054 0.942 . . . . 0.0 110.338 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.0 -49.36 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.202 1.401 . . . . 0.0 109.535 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' ' 84' ' ' VAL . 56.6 mt-30 -50.24 -49.91 51.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.457 1.026 . . . . 0.0 110.639 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -56.29 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.992 1.317 . . . . 0.0 110.993 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -53.14 -43.35 66.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.333 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -57.67 10.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.415 1.486 . . . . 0.0 110.746 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.37 -47.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.033 0.933 . . . . 0.0 111.325 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.47 -47.53 79.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.305 0.642 . . . . 0.0 112.048 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 tp -62.07 -49.07 77.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.105 1.362 . . . . 0.0 112.489 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.61 -51.5 65.14 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.47 0.708 . . . . 0.0 110.187 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -58.1 -46.28 85.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.122 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.22 13.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.715 1.606 . . . . 0.0 113.684 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -71.17 -51.14 26.5 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.479 -0.763 . . . . 0.0 110.477 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -51.21 -45.3 61.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.589 1.155 . . . . 0.0 113.013 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 129.016 2.926 . . . . 0.0 112.178 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.46 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 10.3 t -57.09 -47.01 82.08 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.062 1.345 . . . . 0.0 109.544 172.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -44.79 79.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.078 1.751 . . . . 0.0 111.517 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.6 m -58.58 -50.36 74.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.848 0.859 . . . . 0.0 110.064 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.3 mmt -57.76 -37.49 73.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.34 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 59.9 mttp -60.98 -43.77 98.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.804 1.638 . . . . 0.0 111.873 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -60.23 -46.58 89.3 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.512 0.725 . . . . 0.0 110.222 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.64 -52.75 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.773 1.629 . . . . 0.0 110.284 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.33 -51.43 34.42 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 128.622 2.769 . . . . 0.0 111.838 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -53.57 -54.84 31.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.38 -49.36 74.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.879 0.471 . . . . 0.0 110.336 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -48.63 15.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.463 1.905 . . . . 0.0 113.63 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -41.21 94.46 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -68.48 -39.86 81.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.909 0.884 . . . . 0.0 112.276 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.9 t -60.18 139.62 57.43 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.237 1.815 . . . . 0.0 111.466 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -131.41 11.15 4.9 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.235 1.814 . . . . 0.0 111.985 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.03 161.64 15.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.388 1.075 . . . . 0.0 111.242 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.11 -117.18 2.8 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.77 -18.53 62.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.843 1.257 . . . . 0.0 113.053 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.09 73.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.794 2.038 . . . . 0.0 116.109 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.2 t -61.5 115.03 3.58 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.877 0.762 . . . . 0.0 110.404 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.45 -22.94 63.61 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.76 1.224 . . . . 0.0 113.7 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.97 114.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.903 1.281 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.5 -59.19 3.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.891 1.677 . . . . 0.0 112.103 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -54.34 -45.34 72.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.102 1.361 . . . . 0.0 113.174 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.11 -56.81 17.17 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.704 1.138 . . . . 0.0 110.705 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -52.12 55.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.926 1.29 . . . . 0.0 112.73 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 p -66.0 -52.35 50.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.684 0.793 . . . . 0.0 112.991 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -53.22 -43.88 67.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.802 1.241 . . . . 0.0 113.472 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -58.19 -47.07 84.58 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.995 -1.065 . . . . 0.0 110.567 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -55.01 37.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.442 1.497 . . . . 0.0 113.085 177.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.5 pt -53.5 -45.94 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.592 1.087 . . . . 0.0 112.72 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.1 mm -66.73 -40.97 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.263 0.483 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.81 -50.08 64.36 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.734 0.814 . . . . 0.0 110.369 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -59.65 -61.53 2.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 110.609 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -52.76 -42.32 64.86 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.76 -44.84 95.13 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.728 1.211 . . . . 0.0 112.171 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -74.11 -48.52 29.04 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.233 1.413 . . . . 0.0 113.57 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.23 122.19 15.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.612 1.565 . . . . 0.0 113.099 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.1 p -134.74 21.22 3.57 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.769 2.028 . . . . 0.0 111.119 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -60.19 150.99 28.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.706 2.002 . . . . 0.0 112.858 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -56.35 -32.35 64.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.395 1.078 . . . . 0.0 112.145 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.91 134.47 15.4 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.538 1.535 . . . . 0.0 112.136 172.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.45 142.67 16.55 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 128.118 2.567 . . . . 0.0 104.461 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.86 0.48 1.54 Allowed 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.822 3.015 . . . . 0.0 117.164 -174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -138.4 -49.63 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 119.927 1.239 . . . . 0.0 110.403 177.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.6 m -52.45 -52.93 51.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.483 1.913 . . . . 0.0 112.055 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.9 -62.34 3.53 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 116.735 -1.603 . . . . 0.0 113.506 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -57.04 -33.78 96.37 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.349 2.032 . . . . 0.0 114.075 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.05 -46.68 64.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.503 1.121 . . . . 0.0 111.578 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.0 tttt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 126.293 1.837 . . . . 0.0 110.893 176.383 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.28 130.61 22.66 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 108.112 171.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -82.15 -173.02 1.6 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.512 2.808 . . . . 0.0 111.861 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -122.85 60.12 1.04 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.647 1.579 . . . . 0.0 108.284 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.01 156.63 35.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.044 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 72.9 p -128.2 170.45 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.304 1.042 . . . . 0.0 110.76 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -55.67 -49.89 71.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 109.254 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -52.34 -56.5 14.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.961 1.304 . . . . 0.0 112.29 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -54.46 -49.55 69.79 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.374 0.67 . . . . 0.0 111.718 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.4 m -62.84 -46.9 85.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.337 1.055 . . . . 0.0 112.2 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.13 -49.35 72.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.161 1.384 . . . . 0.0 111.295 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.85 -51.06 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.296 1.839 . . . . 0.0 112.298 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -76.4 -33.8 58.85 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -142.19 77.71 17.69 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 125.225 1.41 . . . . 0.0 112.183 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.43 131.59 45.56 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.924 3.083 . . . . 0.0 113.972 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 17.4 mt -63.13 129.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.326 1.05 . . . . 0.0 108.725 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.549 0.69 . . . . 0.0 111.738 -179.733 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.366 0.603 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.87 130.67 47.92 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.711 2.805 . . . . 0.0 109.28 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -136.95 163.41 30.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.019 1.327 . . . . 0.0 113.891 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.95 -141.35 36.95 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 127.146 2.308 . . . . 0.0 116.608 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.12 -40.49 32.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.386 1.475 . . . . 0.0 114.35 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -55.11 -30.12 59.07 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.925 0.89 . . . . 0.0 112.748 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -57.66 -62.1 2.04 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.02 0.928 . . . . 0.0 109.195 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.99 -43.68 73.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.314 1.046 . . . . 0.0 111.479 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -57.77 -49.33 76.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.997 0.919 . . . . 0.0 111.032 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.3 88.97 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.06 -43.84 77.71 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.505 1.122 . . . . 0.0 112.62 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.44 -31.7 69.53 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.54 -18.18 17.83 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.51 -60.71 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 112.062 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.27 0.4 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.422 2.689 . . . . 0.0 115.034 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.388 0.137 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -147.8 140.4 14.67 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.465 1.506 . . . . 0.0 111.661 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.31 -38.27 91.46 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.027 2.484 . . . . 0.0 114.024 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -40.75 95.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.105 1.32 . . . . 0.0 111.706 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.61 -39.77 81.39 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.47 -0.769 . . . . 0.0 109.653 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -58.85 -50.19 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -51.56 -52.25 48.78 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.735 1.214 . . . . 0.0 111.198 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -56.34 -48.44 76.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.417 1.487 . . . . 0.0 111.928 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.18 -52.63 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.804 1.241 . . . . 0.0 109.85 176.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.48 -57.78 5.62 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.084 1.754 . . . . 0.0 112.372 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -57.62 -50.12 74.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.522 0.601 . . . . 0.0 111.983 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.18 -39.48 79.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.331 0.969 . . . . 0.0 113.111 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.42 -51.61 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 109.079 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.52 -51.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.437 1.095 . . . . 0.0 111.285 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.54 -46.39 80.68 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.92 0.888 . . . . 0.0 113.184 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.17 -45.86 91.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.977 0.911 . . . . 0.0 111.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.65 -47.94 80.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.436 0.694 . . . . 0.0 110.147 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.35 -52.0 64.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.144 0.978 . . . . 0.0 110.834 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.0 -43.88 4.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.31 1.844 . . . . 0.0 114.737 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -75.56 -48.15 23.65 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.59 -0.694 . . . . 0.0 111.724 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -57.32 -37.56 72.68 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.051 0.842 . . . . 0.0 112.874 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 t . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 128.041 2.537 . . . . 0.0 111.546 177.652 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.2 m80 . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -53.93 -47.68 70.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.913 1.685 . . . . 0.0 110.201 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -39.71 68.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.081 1.352 . . . . 0.0 112.263 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -61.04 -52.15 66.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.703 0.801 . . . . 0.0 109.303 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.8 mmt -58.32 -38.37 76.98 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.356 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.18 -45.2 93.93 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.639 1.563 . . . . 0.0 111.61 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -59.45 -46.48 88.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.591 0.756 . . . . 0.0 110.193 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.0 -53.21 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.582 1.553 . . . . 0.0 110.569 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.38 -52.01 41.07 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.858 2.863 . . . . 0.0 111.639 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.73 -45.56 77.95 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.057 1.343 . . . . 0.0 111.881 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.42 -51.4 63.36 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.663 -0.648 . . . . 0.0 110.293 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.98 -49.57 5.98 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 128.265 2.626 . . . . 0.0 114.893 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 p -61.78 -50.74 71.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.871 0.868 . . . . 0.0 112.221 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -67.65 -42.82 81.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.962 1.705 . . . . 0.0 113.199 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.445 ' HB3' HH12 ' A' ' 68' ' ' ARG . 48.7 t -59.1 143.78 47.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.362 1.865 . . . . 0.0 112.547 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -130.58 -2.22 4.3 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.429 1.892 . . . . 0.0 113.09 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.63 65.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.13 1.372 . . . . 0.0 113.741 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.53 -99.79 0.11 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.375 1.464 . . . . 0.0 113.539 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -56.11 -42.37 76.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.637 1.575 . . . . 0.0 111.617 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 -16.9 58.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.985 1.714 . . . . 0.0 114.666 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.24 122.84 18.74 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.348 0.976 . . . . 0.0 111.249 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -68.67 -26.7 65.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.96 1.304 . . . . 0.0 113.303 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.21 116.66 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.925 1.29 . . . . 0.0 111.195 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.54 9.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.152 1.781 . . . . 0.0 112.514 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -58.34 -39.73 80.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.176 1.791 . . . . 0.0 113.803 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.2 t -59.29 -60.03 4.51 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.035 1.334 . . . . 0.0 110.013 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.95 61.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.617 1.167 . . . . 0.0 112.085 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.7 m -62.4 -59.19 5.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.599 1.56 . . . . 0.0 112.878 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -54.9 -42.96 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.827 1.651 . . . . 0.0 112.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.445 HH12 ' HB3' ' A' ' 53' ' ' CYS . 3.1 mtt85 -54.84 -48.78 72.43 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.365 -0.835 . . . . 0.0 110.424 173.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -55.58 33.29 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.943 1.697 . . . . 0.0 113.071 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -45.53 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.201 0.909 . . . . 0.0 112.462 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.62 -40.95 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.548 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -52.74 -50.96 62.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.374 0.67 . . . . 0.0 110.049 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.36 -61.84 2.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.206 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.407 ' CD1' ' HA ' ' A' ' 85' ' ' CYS . 4.8 t90 -48.94 -44.43 40.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -66.44 -49.83 65.4 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.453 1.101 . . . . 0.0 112.235 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.35 -39.87 92.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.034 1.333 . . . . 0.0 113.662 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.3 t -60.72 115.71 3.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.976 1.711 . . . . 0.0 112.843 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -130.65 19.49 5.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.476 2.31 . . . . 0.0 111.236 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -62.35 154.03 29.25 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.743 2.817 . . . . 0.0 112.148 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -49.72 -52.21 33.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.986 1.314 . . . . 0.0 110.45 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.66 137.25 16.86 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.352 1.461 . . . . 0.0 112.712 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.28 141.2 38.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.787 2.835 . . . . 0.0 105.14 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.72 -10.25 13.73 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.944 3.096 . . . . 0.0 117.185 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.2 t -128.16 -49.04 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 120.048 1.294 . . . . 0.0 111.509 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 8.3 m -54.88 -58.59 6.99 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.802 1.641 . . . . 0.0 112.55 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.86 -58.66 9.49 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.675 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -54.11 -44.01 53.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 122.527 1.938 . . . . 0.0 113.482 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.85 -48.51 81.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.82 1.248 . . . . 0.0 112.32 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 mttm . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 124.856 1.263 . . . . 0.0 111.696 177.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.1 130.88 23.85 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.272 1.829 . . . . 0.0 108.473 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.43 -172.57 1.17 Allowed 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.985 3.123 . . . . 0.0 113.231 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.86 62.77 1.06 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.412 1.885 . . . . 0.0 108.364 171.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.43 169.71 11.9 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.495 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -140.15 169.83 16.97 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.105 0.962 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p -52.39 -50.29 62.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.84 1.256 . . . . 0.0 109.958 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -52.49 -61.97 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.534 1.533 . . . . 0.0 112.073 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -52.7 35.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.579 1.152 . . . . 0.0 111.962 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.23 -50.26 73.81 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.327 1.051 . . . . 0.0 112.424 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.39 -43.84 88.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.91 1.284 . . . . 0.0 111.916 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -59.63 -49.03 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.678 1.591 . . . . 0.0 111.549 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -74.76 -39.61 61.7 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -134.94 77.69 55.97 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.867 1.267 . . . . 0.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.33 125.44 19.17 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.023 3.149 . . . . 0.0 114.181 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.99 124.06 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.231 1.413 . . . . 0.0 108.688 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.695 0.759 . . . . 0.0 112.685 -176.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 30.2 mt . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.39 132.95 10.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.098 2.559 . . . . 0.0 109.553 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 165.61 26.98 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.46 -145.66 27.12 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.472 1.987 . . . . 0.0 116.159 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.93 -33.8 57.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -57.29 -27.09 61.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.92 0.888 . . . . 0.0 112.433 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -62.11 2.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 108.532 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.44 -42.92 71.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.254 1.422 . . . . 0.0 110.844 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -55.92 -50.67 70.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.438 1.495 . . . . 0.0 110.947 173.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.21 94.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.5 1.12 . . . . 0.0 111.968 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.51 -38.84 91.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.713 1.205 . . . . 0.0 112.458 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.37 -32.14 73.62 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -56.66 -14.98 3.69 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.99 -39.91 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.315 1.846 . . . . 0.0 112.597 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.155 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -141.33 137.36 16.55 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.493 1.917 . . . . 0.0 110.415 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -58.67 -42.69 51.39 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.956 2.437 . . . . 0.0 113.412 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.36 -41.51 98.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.515 1.052 . . . . 0.0 111.857 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.81 -37.6 74.07 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.091 0.859 . . . . 0.0 110.808 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.43 -45.1 88.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.987 0.812 . . . . 0.0 110.553 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -55.45 -47.22 76.37 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.702 1.201 . . . . 0.0 111.197 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.83 -47.19 85.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.675 1.59 . . . . 0.0 111.15 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -59.41 -52.45 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.082 1.353 . . . . 0.0 110.027 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -46.73 -56.81 5.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.541 1.937 . . . . 0.0 112.477 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.52 -49.23 75.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.873 0.76 . . . . 0.0 112.385 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.76 -35.52 76.63 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.104 0.865 . . . . 0.0 112.778 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.01 -55.52 31.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.551 1.541 . . . . 0.0 108.626 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.93 -46.46 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.594 1.558 . . . . 0.0 111.89 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -57.52 -51.31 69.97 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.459 1.027 . . . . 0.0 112.127 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.43 -42.56 82.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.211 1.405 . . . . 0.0 111.997 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.33 -50.1 74.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.076 0.95 . . . . 0.0 110.682 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -54.13 -49.93 68.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.232 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.14 -55.04 2.73 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.663 1.585 . . . . 0.0 113.602 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.59 -39.26 64.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.143 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -53.53 -49.99 66.42 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.535 1.516 . . . . 0.0 110.167 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 128.956 2.902 . . . . 0.0 110.637 175.087 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.7 t -53.0 -46.55 68.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.028 0.931 . . . . 0.0 109.473 172.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -53.3 -47.39 69.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.794 1.638 . . . . 0.0 111.546 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -57.56 -52.64 64.59 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.438 1.095 . . . . 0.0 110.034 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.9 mmt -59.74 -40.82 89.35 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.483 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -57.8 -44.2 86.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.461 1.482 . . . . 0.0 111.386 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -61.28 -48.95 79.05 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.872 0.869 . . . . 0.0 110.401 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.0 t -55.31 -56.02 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.579 1.552 . . . . 0.0 110.273 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.03 -55.87 9.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.442 3.097 . . . . 0.0 111.941 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -51.11 -56.58 11.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.402 1.081 . . . . 0.0 110.786 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.32 -47.53 78.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.951 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -49.63 15.0 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.592 1.957 . . . . 0.0 112.918 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -45.3 94.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.825 0.85 . . . . 0.0 112.958 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -71.08 -45.53 63.56 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.424 1.09 . . . . 0.0 112.681 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.74 106.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.756 2.423 . . . . 0.0 111.902 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.69 -16.58 60.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.875 1.27 . . . . 0.0 113.883 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.53 -177.72 2.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.151 1.38 . . . . 0.0 112.722 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.26 -109.32 1.75 Allowed Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.706 1.622 . . . . 0.0 110.462 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.28 67.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.65 0.78 . . . . 0.0 112.829 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.38 71.35 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.96 121.38 11.67 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.653 1.115 . . . . 0.0 110.228 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.07 -23.91 67.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.168 1.387 . . . . 0.0 114.444 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 115.96 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.954 1.302 . . . . 0.0 109.648 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.09 -55.93 4.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.519 1.927 . . . . 0.0 113.637 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -63.78 -45.97 87.34 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.854 1.262 . . . . 0.0 113.35 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.13 -49.7 73.18 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.751 1.221 . . . . 0.0 110.758 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.65 -60.53 3.31 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.13 0.972 . . . . 0.0 110.306 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.7 m -55.85 -52.67 63.23 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.525 2.33 . . . . 0.0 115.545 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 p -51.78 -33.11 33.81 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.318 1.847 . . . . 0.0 115.149 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -58.9 -54.36 48.02 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.237 -0.914 . . . . 0.0 111.501 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -51.02 66.31 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.388 0.994 . . . . 0.0 113.102 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -52.53 -43.37 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.24 0.927 . . . . 0.0 112.958 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.82 -42.27 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.653 0.781 . . . . 0.0 111.454 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 m -52.94 -48.3 67.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.443 1.097 . . . . 0.0 110.527 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.63 -63.31 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 109.601 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -49.92 -45.24 50.87 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -64.17 -44.13 93.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.01 -42.48 63.19 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.766 1.226 . . . . 0.0 113.466 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 128.67 38.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.898 1.679 . . . . 0.0 113.649 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -135.1 14.96 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.203 2.201 . . . . 0.0 111.228 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -62.62 135.31 57.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.263 2.225 . . . . 0.0 111.059 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -53.51 -39.0 64.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.816 1.646 . . . . 0.0 114.636 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -141.27 45.89 1.74 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.24 137.53 97.15 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -58.8 -15.39 26.33 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.029 3.153 . . . . 0.0 116.618 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 -51.66 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.606 1.093 . . . . 0.0 110.914 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 m -53.92 -49.42 68.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.312 1.845 . . . . 0.0 113.127 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.58 -62.36 4.64 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 116.942 -1.504 . . . . 0.0 112.487 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -57.33 -35.01 98.86 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.406 2.071 . . . . 0.0 113.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.3 -49.67 66.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.857 0.863 . . . . 0.0 111.578 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 125.522 1.529 . . . . 0.0 111.536 178.127 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -130.19 119.85 18.87 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.226 1.41 . . . . 0.0 108.36 170.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.21 174.13 13.34 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.245 2.63 . . . . 0.0 112.402 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -112.29 64.83 0.63 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.85 1.26 . . . . 0.0 108.728 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.19 167.46 16.18 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.764 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -136.99 170.04 16.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.342 1.057 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.0 p -52.63 -53.91 40.5 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.391 1.077 . . . . 0.0 109.689 173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -51.07 -57.29 9.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.647 1.579 . . . . 0.0 111.994 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -52.66 -51.09 61.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.642 0.656 . . . . 0.0 112.152 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.12 -49.11 77.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.738 0.815 . . . . 0.0 112.231 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.68 -41.57 73.91 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.195 1.398 . . . . 0.0 112.191 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 14.3 t -71.14 -52.72 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.857 2.063 . . . . 0.0 112.396 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -77.22 -31.19 55.0 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -174.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.34 70.44 67.93 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 124.593 1.157 . . . . 0.0 111.668 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.38 132.72 53.86 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.754 2.969 . . . . 0.0 113.557 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.5 mt -69.03 132.47 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.789 1.235 . . . . 0.0 108.927 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 123.201 0.6 . . . . 0.0 112.374 179.77 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 132.83 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 129.172 2.989 . . . . 0.0 109.276 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -131.1 163.61 27.28 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 47.45 -140.12 8.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.184 2.326 . . . . 0.0 116.404 174.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -55.84 -30.71 61.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.55 -31.34 62.06 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 118.278 -0.868 . . . . 0.0 112.064 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.57 -61.98 2.19 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.658 1.183 . . . . 0.0 107.831 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.7 -47.52 70.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.206 1.403 . . . . 0.0 111.301 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -54.3 -45.88 72.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.955 1.302 . . . . 0.0 111.23 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.15 65.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.43 1.092 . . . . 0.0 111.045 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.17 -43.38 82.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.061 0.944 . . . . 0.0 112.441 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.34 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.928 1.691 . . . . 0.0 115.107 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.18 -21.67 66.65 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.39 115.02 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.663 1.185 . . . . 0.0 109.604 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.83 1.252 . . . . 0.0 113.29 -179.875 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.748 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -142.29 134.3 13.42 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.439 1.896 . . . . 0.0 110.637 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -61.09 -44.94 21.47 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.269 2.646 . . . . 0.0 113.669 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.64 -40.7 95.91 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.131 1.332 . . . . 0.0 111.519 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.75 -36.14 73.87 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.155 -0.966 . . . . 0.0 110.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -46.11 89.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.454 1.102 . . . . 0.0 109.902 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -56.0 -48.38 76.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.261 1.424 . . . . 0.0 111.007 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -57.43 -44.22 84.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.389 1.076 . . . . 0.0 110.858 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.81 -49.26 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.086 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -51.49 -52.23 48.43 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.669 1.122 . . . . 0.0 111.023 176.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -52.56 -59.52 4.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.802 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -57.59 -38.82 75.54 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -55.4 34.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.24 1.416 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.31 -51.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.182 1.393 . . . . 0.0 112.169 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.1 mt -56.13 -46.9 79.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.34 0.973 . . . . 0.0 112.253 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.36 -46.57 89.65 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.679 1.192 . . . . 0.0 112.689 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.5 -53.53 57.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.578 1.151 . . . . 0.0 110.306 176.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -54.64 -50.67 67.59 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 110.56 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -60.23 1.86 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.713 1.605 . . . . 0.0 113.245 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.33 -42.84 99.34 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.34 -0.85 . . . . 0.0 112.341 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -56.87 -43.45 81.23 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.296 1.038 . . . . 0.0 111.494 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 129.013 2.925 . . . . 0.0 112.556 177.737 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.78 -47.98 70.22 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.416 1.486 . . . . 0.0 109.518 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -57.69 -38.23 74.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.591 1.556 . . . . 0.0 112.543 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -62.47 -52.91 61.65 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.665 0.786 . . . . 0.0 109.524 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -39.03 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.541 0.609 . . . . 0.0 111.525 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -62.04 -44.2 97.21 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.801 1.241 . . . . 0.0 112.054 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -60.77 -49.01 79.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.801 0.84 . . . . 0.0 110.066 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.3 t -53.42 -54.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.933 1.693 . . . . 0.0 109.902 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.49 -55.29 16.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.279 2.632 . . . . 0.0 112.315 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -55.06 -43.02 73.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.637 1.175 . . . . 0.0 111.975 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -68.08 -48.22 66.13 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.303 0.641 . . . . 0.0 110.711 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -48.86 7.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.569 2.748 . . . . 0.0 114.845 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -61.05 -48.77 80.22 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 112.244 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -69.81 -50.85 38.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.023 1.729 . . . . 0.0 112.323 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.72 134.47 54.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.69 1.996 . . . . 0.0 112.213 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -117.19 -5.6 11.35 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.62 1.568 . . . . 0.0 112.593 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.66 60.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.706 1.603 . . . . 0.0 112.916 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.16 -99.43 0.11 Allowed Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.116 1.341 . . . . 0.0 113.191 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.56 -40.49 75.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 111.813 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.94 -17.51 58.85 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.549 1.54 . . . . 0.0 114.735 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.6 134.97 52.17 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.397 0.998 . . . . 0.0 111.055 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.6 -35.0 79.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.97 124.49 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.457 1.503 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.04 -62.02 2.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.304 1.042 . . . . 0.0 112.233 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -47.76 -37.43 13.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.665 2.386 . . . . 0.0 114.307 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.2 t -55.51 -48.94 73.84 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.054 2.142 . . . . 0.0 111.44 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.99 66.09 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.288 -0.882 . . . . 0.0 111.249 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -60.41 3.31 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.148 1.379 . . . . 0.0 112.22 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 p -50.61 -42.27 55.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.659 1.984 . . . . 0.0 114.415 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -61.86 -49.98 74.08 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.195 -0.941 . . . . 0.0 110.989 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -54.44 39.19 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.607 1.963 . . . . 0.0 112.665 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.53 -41.36 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.82 -41.34 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.897 0.771 . . . . 0.0 111.209 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -51.69 -47.1 64.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.908 0.776 . . . . 0.0 110.14 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -56.51 -65.86 0.54 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.617 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -51.36 -43.14 61.76 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -61.11 -52.16 66.06 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.375 1.07 . . . . 0.0 112.27 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.63 -40.21 63.93 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.164 1.386 . . . . 0.0 114.148 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 40.1 t -55.14 123.5 13.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.748 1.619 . . . . 0.0 111.952 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -124.35 13.83 8.9 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.926 1.69 . . . . 0.0 111.97 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 67.4 ttt180 -66.96 122.62 18.13 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.086 1.755 . . . . 0.0 109.665 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -69.77 1.51 4.25 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.404 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 4.6 p-10 -147.15 20.01 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.0 137.15 93.93 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 119.835 1.198 . . . . 0.0 108.79 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -54.51 -30.32 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.136 3.224 . . . . 0.0 116.533 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -51.72 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.382 0.992 . . . . 0.0 111.227 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.1 m -54.88 -52.58 62.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.234 1.814 . . . . 0.0 112.36 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.66 -61.09 4.67 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 117.049 -1.453 . . . . 0.0 113.085 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -56.67 -42.35 66.01 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.022 1.758 . . . . 0.0 112.316 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.84 -50.3 72.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 112.825 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttm . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.362 . . . . 0.0 111.312 177.48 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -143.51 127.67 9.38 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.582 1.953 . . . . 0.0 110.186 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -82.37 -179.14 4.43 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.649 2.899 . . . . 0.0 112.171 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -128.41 64.44 1.42 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.345 1.858 . . . . 0.0 108.128 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.65 108.62 2.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.546 1.538 . . . . 0.0 109.53 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 48.3 p -72.7 170.75 13.89 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.553 0.692 . . . . 0.0 111.24 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -51.49 -51.66 53.19 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.523 1.129 . . . . 0.0 109.645 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -52.89 -57.29 10.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.355 1.862 . . . . 0.0 111.567 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -49.43 -54.18 18.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.042 0.937 . . . . 0.0 111.861 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.72 -57.16 14.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.1 -44.16 78.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.099 1.36 . . . . 0.0 112.983 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.72 -54.29 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.021 1.729 . . . . 0.0 112.434 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.87 -33.78 57.83 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.75 74.99 68.84 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 124.714 1.206 . . . . 0.0 112.602 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.2 163.19 10.39 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.504 3.47 . . . . 0.0 112.969 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 14.8 mt -112.67 135.49 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.658 1.183 . . . . 0.0 110.788 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.775 0.83 . . . . 0.0 111.51 179.227 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 136.81 57.97 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.006 2.122 . . . . 0.0 109.544 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -124.16 158.38 32.47 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 41.81 -135.07 3.4 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 128.149 2.785 . . . . 0.0 117.639 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.92 -36.34 59.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.916 1.287 . . . . 0.0 113.954 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.54 -28.87 61.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.766 0.826 . . . . 0.0 112.233 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.51 -64.32 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.051 0.941 . . . . 0.0 108.648 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.81 -42.91 68.9 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.022 1.329 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.48 -50.55 72.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.885 1.274 . . . . 0.0 110.951 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.61 99.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.624 1.169 . . . . 0.0 112.044 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.98 -41.52 95.35 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.569 1.147 . . . . 0.0 112.528 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -60.03 -37.86 81.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -54.82 -13.41 1.05 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.1 -35.64 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.743 1.617 . . . . 0.0 112.137 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.113 1.365 . . . . 0.0 114.495 -177.748 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.374 0.131 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -143.97 138.37 14.99 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.624 1.57 . . . . 0.0 111.212 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.56 -40.67 63.76 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.977 2.451 . . . . 0.0 113.591 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.82 -40.08 91.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.689 1.131 . . . . 0.0 111.596 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.07 -38.02 78.44 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.536 -0.728 . . . . 0.0 110.375 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.66 -44.55 95.97 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.748 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.68 -49.96 69.39 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.642 1.11 . . . . 0.0 110.933 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.37 -45.94 87.26 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.39 1.476 . . . . 0.0 111.479 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.04 -51.31 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.729 1.212 . . . . 0.0 109.713 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -52.42 -49.33 64.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.524 1.13 . . . . 0.0 111.162 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -54.89 -53.88 49.72 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.725 1.21 . . . . 0.0 110.926 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -56.99 -44.11 82.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.197 0.999 . . . . 0.0 111.785 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.77 -54.98 37.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.982 1.713 . . . . 0.0 109.206 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.1 t -55.3 -55.95 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.173 1.389 . . . . 0.0 111.83 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 33.9 mt -58.54 -42.02 86.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.886 0.766 . . . . 0.0 112.938 -179.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.96 -49.56 74.25 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.165 0.893 . . . . 0.0 111.701 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.22 -49.05 75.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.249 0.619 . . . . 0.0 110.317 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -54.21 -52.04 62.53 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.436 1.094 . . . . 0.0 111.115 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.93 -50.29 10.6 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.535 1.516 . . . . 0.0 114.007 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -65.05 -48.28 74.37 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.389 -0.819 . . . . 0.0 111.7 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -54.55 -46.12 73.58 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.779 1.231 . . . . 0.0 110.916 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 128.213 2.605 . . . . 0.0 111.44 177.542 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 43.2 t -61.77 -48.86 78.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.82 0.848 . . . . 0.0 109.187 174.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.36 -46.14 76.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.963 1.305 . . . . 0.0 110.208 173.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 m -54.55 -51.21 65.92 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.14 0.976 . . . . 0.0 110.496 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.433 ' HG3' ' HB3' ' A' ' 15' ' ' LEU . 32.7 mmt -60.58 -39.22 87.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.294 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 45.4 mttp -61.71 -42.0 98.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.489 1.495 . . . . 0.0 111.413 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.4 -47.62 85.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.571 0.748 . . . . 0.0 109.919 174.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.5 t -57.04 -48.62 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.485 1.514 . . . . 0.0 110.201 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.68 -51.4 60.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.154 2.182 . . . . 0.0 111.712 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -55.61 -54.14 47.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.265 1.026 . . . . 0.0 110.66 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -53.11 -51.06 63.12 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.128 0.971 . . . . 0.0 111.903 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.438 ' HE3' HD22 ' B' ' 141' ' ' LEU . 24.6 mtp -48.84 -43.49 38.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.89 1.676 . . . . 0.0 113.997 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -39.26 90.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.735 0.698 . . . . 0.0 112.625 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -74.97 -53.52 8.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.581 1.152 . . . . 0.0 112.018 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.4 144.91 56.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.051 1.74 . . . . 0.0 110.791 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -130.62 6.29 4.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.827 1.651 . . . . 0.0 112.239 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.19 -67.57 0.75 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.475 1.11 . . . . 0.0 112.449 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.02 -72.25 1.37 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.514 1.055 . . . . 0.0 112.869 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -59.48 -55.08 39.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.05 1.74 . . . . 0.0 111.309 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.65 -19.28 45.65 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.545 1.538 . . . . 0.0 114.659 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.34 127.95 33.75 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.866 0.841 . . . . 0.0 111.152 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -65.84 -30.54 71.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.12 1.368 . . . . 0.0 113.149 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.94 116.94 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.155 1.382 . . . . 0.0 110.82 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.01 -51.93 38.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.722 1.609 . . . . 0.0 112.062 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -61.09 -38.07 84.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 117.274 -1.346 . . . . 0.0 113.63 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.22 -54.83 42.39 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 120.829 1.65 . . . . 0.0 110.127 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.55 70.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.271 1.028 . . . . 0.0 112.393 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -69.07 -56.39 7.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.046 1.738 . . . . 0.0 114.135 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 p -50.6 -49.34 56.76 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.213 2.205 . . . . 0.0 113.646 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -55.61 -45.04 77.55 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.203 -0.936 . . . . 0.0 110.458 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -55.62 32.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.298 1.839 . . . . 0.0 112.35 176.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 pt -54.42 -43.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.173 0.897 . . . . 0.0 112.264 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.05 -39.65 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.431 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.4 m -53.13 -51.02 63.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.702 1.137 . . . . 0.0 109.934 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.36 -63.66 1.12 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 123.623 0.769 . . . . 0.0 110.07 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -51.53 -41.29 60.93 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.56 -53.59 39.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.381 0.672 . . . . 0.0 112.037 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.35 -34.98 77.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.894 1.278 . . . . 0.0 114.257 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.36 129.35 39.54 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.291 1.437 . . . . 0.0 112.942 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 p -126.63 2.75 6.81 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.523 2.329 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 68.0 ttt180 -57.55 124.69 19.88 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.231 1.812 . . . . 0.0 110.258 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.47 5.97 6.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.176 1.39 . . . . 0.0 114.205 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.415 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 4.1 p-10 -148.28 19.92 1.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.469 1.508 . . . . 0.0 114.573 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.6 137.05 96.35 Favored Pre-proline 0 CA--C 1.552 1.053 0 CA-C-N 119.468 1.031 . . . . 0.0 108.311 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -59.5 -9.51 9.11 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.949 3.099 . . . . 0.0 116.106 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.78 -54.22 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 119.733 1.151 . . . . 0.0 110.36 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -56.13 -38.9 71.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.091 1.756 . . . . 0.0 112.878 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.91 -62.57 4.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-O 117.195 -1.383 . . . . 0.0 111.574 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -55.97 -40.49 84.68 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 122.081 1.779 . . . . 0.0 112.613 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.72 -46.55 88.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.966 -1.084 . . . . 0.0 112.701 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? . . . . . 0 N--CA 1.478 0.948 0 CA-C-N 119.839 1.199 . . . . 0.0 112.616 176.752 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.7 126.98 24.93 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.478 1.511 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -82.32 176.97 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.226 2.617 . . . . 0.0 112.95 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -118.55 63.03 0.77 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.533 1.533 . . . . 0.0 108.76 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.16 168.45 15.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.907 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.4 p -138.74 168.31 20.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.316 1.047 . . . . 0.0 110.5 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 10.9 p -53.64 -50.65 65.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.439 1.095 . . . . 0.0 109.461 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.09 -58.63 5.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.077 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.14 -50.7 66.35 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.667 0.667 . . . . 0.0 112.06 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.43 -48.67 80.76 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.081 0.952 . . . . 0.0 111.976 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.43 -48.76 76.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.217 1.407 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.55 -49.93 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.176 1.79 . . . . 0.0 112.083 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -74.12 -39.96 62.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.65 76.84 47.06 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.59 1.156 . . . . 0.0 111.993 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -55.4 136.27 72.94 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.033 3.155 . . . . 0.0 114.414 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 25.7 mt -71.11 137.67 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.128 1.771 . . . . 0.0 108.828 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 N--CA 1.475 0.787 0 CA-C-N 119.195 0.907 . . . . 0.0 110.622 176.843 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 126.87 15.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.341 2.256 . . . . 0.0 109.184 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -146.02 159.56 43.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.27 -147.11 49.74 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.107 1.813 . . . . 0.0 114.363 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -50.44 -38.03 41.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.569 1.148 . . . . 0.0 113.761 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.8 -33.44 56.03 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.708 1.203 . . . . 0.0 112.87 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.438 HD22 ' HE3' ' A' ' 50' ' ' MET . 39.3 mt -54.81 -61.12 2.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.084 0.954 . . . . 0.0 109.129 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.3 -43.43 83.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.436 1.094 . . . . 0.0 111.346 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -56.61 -50.28 72.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.989 0.916 . . . . 0.0 110.934 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.9 93.32 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.836 1.255 . . . . 0.0 111.935 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.11 -41.96 80.98 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.54 1.136 . . . . 0.0 112.983 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.42 -38.04 73.71 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.79 -17.42 0.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.42 -38.78 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.091 1.356 . . . . 0.0 111.823 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -141.07 117.55 7.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.112 1.765 . . . . 0.0 110.908 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.2 -41.55 21.9 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.16 3.24 . . . . 0.0 114.392 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.48 -48.46 81.54 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.157 0.983 . . . . 0.0 111.397 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.76 -32.54 71.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.091 0.956 . . . . 0.0 111.605 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -62.63 -38.88 91.97 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.562 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.12 -48.6 79.7 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.675 1.125 . . . . 0.0 110.691 173.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -55.78 -50.91 69.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.064 1.345 . . . . 0.0 110.444 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.25 -51.36 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.437 1.895 . . . . 0.0 110.973 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -49.41 -51.67 33.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.473 1.509 . . . . 0.0 110.847 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -56.88 -58.34 8.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.277 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -50.05 -46.54 53.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.773 1.229 . . . . 0.0 113.157 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.6 -57.76 10.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.783 2.033 . . . . 0.0 109.935 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.02 -46.29 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 112.416 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.8 mt -58.86 -45.26 90.54 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.795 1.18 . . . . 0.0 111.935 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.39 -44.58 92.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.42 1.088 . . . . 0.0 111.39 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.61 -47.52 81.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.831 0.853 . . . . 0.0 110.241 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -53.46 -50.07 66.06 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.507 1.123 . . . . 0.0 110.778 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.41 -55.62 4.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.03 1.332 . . . . 0.0 112.546 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -65.12 -49.96 67.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.315 0.646 . . . . 0.0 112.342 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.28 -51.63 32.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.829 1.652 . . . . 0.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 128.569 2.748 . . . . 0.0 110.989 177.704 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.7 m80 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -51.28 -53.4 36.11 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.267 1.427 . . . . 0.0 110.372 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.86 -42.31 71.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.386 1.474 . . . . 0.0 112.048 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -59.9 -50.47 73.65 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 110.062 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.7 mmt -61.58 -37.12 82.68 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.527 -0.733 . . . . 0.0 112.347 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -59.37 -41.84 90.26 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.308 1.413 . . . . 0.0 111.231 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.37 -48.51 79.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.838 0.855 . . . . 0.0 110.31 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.65 -56.26 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.068 1.347 . . . . 0.0 109.845 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.87 -55.81 7.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.871 2.868 . . . . 0.0 111.865 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -52.25 -55.83 18.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.171 0.988 . . . . 0.0 111.038 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -55.35 -48.54 74.08 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.421 0.688 . . . . 0.0 111.318 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -45.97 30.62 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.15 2.18 . . . . 0.0 113.535 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -42.69 99.84 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.702 0.801 . . . . 0.0 112.857 178.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -72.83 -50.6 23.07 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.301 1.04 . . . . 0.0 112.273 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.14 140.04 58.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.211 1.804 . . . . 0.0 112.143 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -125.49 -6.03 7.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.989 1.716 . . . . 0.0 113.394 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.94 62.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.143 1.377 . . . . 0.0 112.147 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.83 -87.83 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.289 1.423 . . . . 0.0 113.759 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -55.83 -50.29 70.96 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 0.0 112.045 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.6 -17.57 59.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.976 1.711 . . . . 0.0 115.26 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.96 128.01 33.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.342 0.974 . . . . 0.0 110.804 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.1 -32.51 73.91 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.12 1.368 . . . . 0.0 113.432 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -67.13 116.98 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.819 1.248 . . . . 0.0 110.059 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.16 -56.38 9.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.338 1.455 . . . . 0.0 112.229 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -57.91 -44.1 86.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.241 -1.361 . . . . 0.0 113.492 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 54.1 t -54.86 -52.26 63.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.507 1.503 . . . . 0.0 110.55 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.73 -59.09 5.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.738 0.815 . . . . 0.0 110.912 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -58.99 -54.48 46.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.121 2.169 . . . . 0.0 116.035 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 p -48.97 -34.34 12.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.859 2.063 . . . . 0.0 115.1 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.08 -39.83 95.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.832 -1.167 . . . . 0.0 112.107 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -51.26 58.39 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.208 0.913 . . . . 0.0 111.783 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.4 pt -52.34 -42.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.095 0.861 . . . . 0.0 112.17 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.45 -45.02 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.836 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.2 m -51.4 -50.8 58.92 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.884 0.766 . . . . 0.0 110.407 174.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.59 -66.9 0.32 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.471 1.508 . . . . 0.0 110.947 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -52.51 -44.96 66.05 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.825 1.193 . . . . 0.0 113.946 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.87 -45.83 82.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.787 1.235 . . . . 0.0 112.364 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -79.99 -41.09 26.57 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.4 t -58.94 138.72 57.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.583 1.553 . . . . 0.0 113.419 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -134.49 10.82 3.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.13 2.172 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -61.7 127.56 32.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.358 1.463 . . . . 0.0 111.903 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -62.06 -15.49 45.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.147 1.779 . . . . 0.0 115.349 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -142.96 28.46 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.17 138.69 97.5 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.37 -3.88 5.84 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.92 3.08 . . . . 0.0 116.566 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.85 -47.82 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.601 1.091 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 m -56.07 -49.09 74.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.075 1.75 . . . . 0.0 112.173 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.35 -61.45 4.52 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.246 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -57.74 -42.86 55.23 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.387 2.058 . . . . 0.0 112.633 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.0 mt -57.03 -51.48 69.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.236 1.015 . . . . 0.0 111.692 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 125.814 1.645 . . . . 0.0 111.537 177.313 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.124 0 N-CA-C 107.725 -2.15 . . . . 0.0 107.725 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 mt -133.89 140.54 36.74 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 127.435 2.294 . . . . 0.0 108.793 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -82.18 173.19 11.09 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.898 2.399 . . . . 0.0 113.289 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.17 65.41 0.73 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.54 1.536 . . . . 0.0 108.108 172.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.61 170.81 11.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.381 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.9 p -137.26 170.69 15.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.185 1.394 . . . . 0.0 109.347 176.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.7 p -56.71 -50.14 73.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.646 0.778 . . . . 0.0 109.714 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -51.95 -55.23 21.6 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.073 1.749 . . . . 0.0 111.938 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -52.15 -50.62 61.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.69 0.796 . . . . 0.0 111.798 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 76.2 m -61.02 -51.08 70.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.538 1.135 . . . . 0.0 112.203 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.22 -48.79 70.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.686 1.194 . . . . 0.0 111.805 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.42 -53.99 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.579 1.952 . . . . 0.0 112.701 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -74.81 -36.31 62.46 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.43 76.63 78.53 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.634 1.174 . . . . 0.0 111.682 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.67 135.57 71.22 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.71 2.94 . . . . 0.0 112.521 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.43 125.66 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.417 1.087 . . . . 0.0 108.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 114.387 -176.814 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 122.004 0.907 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.73 143.23 50.1 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.254 2.622 . . . . 0.0 108.447 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.989 -1.069 . . . . 0.0 113.449 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.78 -147.15 33.77 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.298 1.904 . . . . 0.0 115.564 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.42 -30.76 61.06 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.52 -29.04 61.42 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.333 0.969 . . . . 0.0 111.997 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.02 -64.13 1.06 Allowed 'General case' 0 C--N 1.344 0.355 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 mt -54.11 -45.85 71.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 111.521 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -54.05 -48.06 70.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.02 175.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.29 89.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.132 0.973 . . . . 0.0 111.865 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.35 -45.62 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.41 1.004 . . . . 0.0 112.585 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.51 -24.39 65.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.86 -24.32 61.96 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -64.62 118.73 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.388 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -140.99 117.36 7.54 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.367 1.867 . . . . 0.0 110.741 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -46.07 -44.28 19.41 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.075 3.183 . . . . 0.0 114.379 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.33 -43.9 92.67 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.538 0.735 . . . . 0.0 112.159 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -60.47 -36.98 79.56 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.439 -0.788 . . . . 0.0 110.979 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.06 -44.76 96.89 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.242 0.928 . . . . 0.0 110.979 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -54.42 -46.19 73.15 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.277 1.031 . . . . 0.0 111.173 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.26 -49.86 70.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.015 1.326 . . . . 0.0 111.061 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.97 -48.39 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.378 1.471 . . . . 0.0 110.385 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -51.51 -52.88 43.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.102 1.361 . . . . 0.0 111.087 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.66 -56.08 20.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.031 0.932 . . . . 0.0 110.698 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -57.33 -40.16 77.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.05 -56.31 22.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.207 1.403 . . . . 0.0 108.925 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.34 -50.74 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.339 1.455 . . . . 0.0 112.48 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.85 -45.34 86.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.309 0.959 . . . . 0.0 112.346 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.28 -45.75 92.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.394 1.078 . . . . 0.0 112.176 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.01 -50.17 74.77 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.157 0.983 . . . . 0.0 110.179 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.15 -51.65 67.22 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.994 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.94 -50.9 5.76 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.535 1.934 . . . . 0.0 113.641 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -65.87 -45.48 81.98 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.854 -1.154 . . . . 0.0 112.16 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' B' ' 146' ' ' ASP . 5.6 mptp? -55.95 -42.76 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.645 0.657 . . . . 0.0 111.608 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 127.888 2.475 . . . . 0.0 111.166 178.116 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 t -52.71 -42.76 65.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.651 1.98 . . . . 0.0 111.938 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -52.34 -49.62 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.356 1.463 . . . . 0.0 110.795 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m -57.45 -56.18 25.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.65 1.18 . . . . 0.0 110.308 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -42.09 77.8 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.75 0.704 . . . . 0.0 112.732 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.4 mtmm -62.89 -44.55 95.81 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.805 1.184 . . . . 0.0 112.141 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.21 -47.43 86.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.569 0.748 . . . . 0.0 110.376 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.2 t -54.49 -57.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.317 1.847 . . . . 0.0 109.754 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.57 -54.08 12.76 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.007 2.523 . . . . 0.0 112.235 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.6 -42.12 70.75 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.726 1.211 . . . . 0.0 112.477 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -71.44 -48.37 49.93 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.612 -0.68 . . . . 0.0 110.494 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.2 ttm -43.56 -44.51 6.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.284 2.634 . . . . 0.0 114.64 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -63.12 -50.28 71.1 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.617 1.167 . . . . 0.0 111.99 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.93 -33.69 72.49 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.072 1.749 . . . . 0.0 112.969 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.13 140.45 52.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.798 2.039 . . . . 0.0 112.533 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -131.43 -9.57 3.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.714 2.006 . . . . 0.0 113.107 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.6 74.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.681 1.192 . . . . 0.0 112.53 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.39 -110.87 3.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.636 1.112 . . . . 0.0 112.756 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.21 -38.41 90.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.509 1.124 . . . . 0.0 111.392 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.17 -14.53 62.68 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.306 1.842 . . . . 0.0 115.553 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.85 124.99 22.08 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 0.0 110.767 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -64.49 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.893 1.277 . . . . 0.0 113.29 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.82 113.81 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 109.832 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.82 -56.55 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.267 1.827 . . . . 0.0 112.662 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -57.87 -46.63 84.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.728 1.611 . . . . 0.0 113.221 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.9 t -57.67 -58.02 10.17 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.453 1.501 . . . . 0.0 111.245 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.31 -47.88 62.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.495 1.118 . . . . 0.0 111.178 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -65.72 -53.91 34.37 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.895 2.078 . . . . 0.0 114.897 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -51.31 -31.27 21.01 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.492 1.917 . . . . 0.0 115.015 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -60.45 -42.77 96.82 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.045 -1.034 . . . . 0.0 112.093 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -51.93 66.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.784 1.174 . . . . 0.0 112.81 177.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.44 -43.39 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.068 0.849 . . . . 0.0 112.553 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.56 -42.26 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.277 0.631 . . . . 0.0 111.133 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -52.59 -47.74 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.535 0.734 . . . . 0.0 110.723 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.29 -62.56 1.68 Allowed 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.455 1.102 . . . . 0.0 110.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -51.9 -40.64 61.02 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -63.72 -54.76 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 111.658 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 -45.07 80.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.544 1.538 . . . . 0.0 113.981 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.8 t -60.38 133.1 55.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.487 1.915 . . . . 0.0 113.447 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 p -135.14 16.16 3.49 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.409 2.284 . . . . 0.0 111.884 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -62.05 134.76 57.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 111.05 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -57.1 -31.27 65.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.631 1.572 . . . . 0.0 114.765 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -143.74 40.45 1.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.84 137.23 97.04 Favored Pre-proline 0 CA--C 1.558 1.254 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.5 -16.73 37.35 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.14 3.227 . . . . 0.0 117.405 -174.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.44 -48.4 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.694 1.134 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 m -54.67 -53.64 52.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.729 1.612 . . . . 0.0 112.031 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.1 -60.44 6.77 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.697 -1.621 . . . . 0.0 113.183 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.89 -43.04 61.65 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.277 1.849 . . . . 0.0 112.837 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.82 -54.0 51.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.84 0.856 . . . . 0.0 111.873 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttm . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 111.448 177.667 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.241 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 12.4 mt -135.98 120.36 12.98 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 125.829 1.651 . . . . 0.0 108.795 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -81.41 175.73 9.33 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.192 2.595 . . . . 0.0 113.128 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -123.45 67.51 1.01 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.26 1.824 . . . . 0.0 107.73 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.16 169.91 9.48 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.297 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 58.0 p -136.54 164.41 28.24 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.141 0.976 . . . . 0.0 109.984 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -54.48 -49.64 69.62 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.388 0.675 . . . . 0.0 109.98 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.89 -56.04 18.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.489 1.516 . . . . 0.0 111.815 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -53.52 -49.59 67.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.503 0.721 . . . . 0.0 111.653 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -50.47 73.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.07 0.948 . . . . 0.0 112.054 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.93 -37.71 71.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.926 1.291 . . . . 0.0 112.792 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.67 -52.36 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.567 1.947 . . . . 0.0 111.978 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.99 -40.27 63.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.74 1.216 . . . . 0.0 114.263 -175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.28 72.5 81.08 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.496 1.118 . . . . 0.0 111.399 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.52 129.66 27.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.246 3.297 . . . . 0.0 114.476 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 27.7 mt -69.77 124.14 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 CA--C 1.538 0.506 0 CA-C-O 121.573 0.701 . . . . 0.0 112.863 -175.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 117.3 4.56 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -143.58 167.03 23.2 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -173.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.48 -146.14 46.82 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.472 1.51 . . . . 0.0 114.291 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.35 -34.88 59.3 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.156 0.978 . . . . 0.0 112.881 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -54.04 -34.09 59.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.815 1.246 . . . . 0.0 112.165 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.92 -64.16 0.95 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.174 0.99 . . . . 0.0 108.851 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.67 -43.36 68.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.955 1.302 . . . . 0.0 111.526 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -57.01 -51.39 69.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.668 1.187 . . . . 0.0 110.98 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.53 72.95 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.896 1.278 . . . . 0.0 111.837 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 73.3 mt -55.6 -46.71 77.26 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.7 1.2 . . . . 0.0 111.661 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . 0.442 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 25.1 t70 -66.06 -17.65 64.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -176.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.2 -24.1 67.02 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.663 1.119 . . . . 0.0 113.325 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.63 123.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.252 0 O-C-N 121.031 -1.043 . . . . 0.0 113.1 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.516 0.198 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -145.85 138.16 13.58 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.502 1.521 . . . . 0.0 111.992 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -62.93 -37.16 55.93 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.645 2.897 . . . . 0.0 114.043 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.93 -53.14 58.67 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.2 -39.47 63.73 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.777 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -59.32 -51.5 69.69 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 110.377 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -60.3 -39.49 87.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.117 0.967 . . . . 0.0 112.355 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.87 -47.32 86.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.926 1.29 . . . . 0.0 110.281 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.13 -51.35 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.459 1.503 . . . . 0.0 109.833 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.55 -50.73 52.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.164 1.386 . . . . 0.0 111.358 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -56.69 -58.59 7.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.671 1.188 . . . . 0.0 110.527 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -50.4 -44.04 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.94 1.296 . . . . 0.0 112.466 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.52 -58.25 8.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.021 1.729 . . . . 0.0 110.225 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.88 -42.94 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.44 1.096 . . . . 0.0 112.422 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.2 mt -58.11 -48.81 79.06 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.669 1.122 . . . . 0.0 111.338 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.8 -45.17 90.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.529 1.132 . . . . 0.0 111.578 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.77 -49.2 78.66 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.096 0.958 . . . . 0.0 110.346 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -54.8 -50.28 68.93 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.436 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.33 -49.68 6.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.946 1.298 . . . . 0.0 113.475 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -70.22 -49.47 49.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.609 0.764 . . . . 0.0 111.914 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -52.35 -43.16 64.47 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.034 1.334 . . . . 0.0 111.973 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 129.322 3.049 . . . . 0.0 112.06 178.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.5 m170 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.6 t -45.72 -54.34 8.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 112.353 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -52.23 -43.84 64.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.896 1.278 . . . . 0.0 112.457 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -60.54 -48.66 80.78 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.12 0.968 . . . . 0.0 109.853 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.29 -36.97 81.52 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.476 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -59.82 -41.92 92.38 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 120.874 1.67 . . . . 0.0 111.338 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.467 0.707 . . . . 0.0 110.144 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -57.65 -48.69 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.073 1.349 . . . . 0.0 110.273 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.02 -48.35 67.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.791 2.436 . . . . 0.0 112.48 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -59.2 -48.07 82.97 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.195 0.998 . . . . 0.0 111.118 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.99 -52.52 62.65 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.256 0.622 . . . . 0.0 111.658 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.3 mtp -39.36 -54.57 1.86 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.669 2.388 . . . . 0.0 114.591 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.1 p -60.21 -46.16 90.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.388 1.075 . . . . 0.0 113.114 -178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -72.96 -43.8 61.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.342 1.457 . . . . 0.0 112.698 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.5 t -61.54 135.69 57.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.384 1.874 . . . . 0.0 112.073 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -118.58 -6.8 10.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.808 1.643 . . . . 0.0 112.995 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.05 76.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.18 1.392 . . . . 0.0 112.668 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.55 -100.13 0.1 Allowed Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.496 1.522 . . . . 0.0 113.34 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -56.1 -39.79 72.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.651 1.58 . . . . 0.0 111.601 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.22 54.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.67 1.588 . . . . 0.0 115.003 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.37 127.29 32.42 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.657 1.117 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -66.37 -29.0 69.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 113.647 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.35 122.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.147 1.379 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.46 2.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.408 1.883 . . . . 0.0 113.006 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -58.53 -41.54 85.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.969 1.307 . . . . 0.0 113.173 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.6 t -55.91 -52.22 64.88 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.234 1.414 . . . . 0.0 112.35 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.69 85.2 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.066 0.946 . . . . 0.0 111.648 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.1 m -64.33 -52.43 58.47 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.188 1.795 . . . . 0.0 114.083 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -53.07 -38.3 62.39 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.464 2.305 . . . . 0.0 114.412 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -63.51 -50.22 70.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.337 173.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.51 15.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.606 1.962 . . . . 0.0 113.102 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -51.99 -46.27 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 118.853 0.751 . . . . 0.0 112.557 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.3 mm -69.96 -37.89 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.622 0.769 . . . . 0.0 111.63 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -53.27 -48.58 68.18 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.455 1.102 . . . . 0.0 110.041 173.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.96 -63.32 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.172 0.989 . . . . 0.0 110.466 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -54.2 -41.72 68.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -58.99 -43.39 91.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.385 -0.822 . . . . 0.0 111.81 177.4 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -76.86 -50.22 13.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.191 1.397 . . . . 0.0 113.634 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.0 130.53 46.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.665 1.586 . . . . 0.0 114.188 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -135.27 16.09 3.46 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.288 2.235 . . . . 0.0 111.181 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 57.6 ttt180 -62.32 132.48 52.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.233 1.813 . . . . 0.0 111.011 178.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -12.79 8.21 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.454 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 8.9 p-10 -150.73 24.66 0.77 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 138.04 97.12 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 119.762 1.164 . . . . 0.0 108.513 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -60.93 -6.84 6.67 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.25 3.3 . . . . 0.0 117.003 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.03 -51.77 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.857 1.208 . . . . 0.0 110.766 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.35 -50.01 65.93 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.48 1.912 . . . . 0.0 112.633 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.8 -61.43 7.37 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 117.151 -1.404 . . . . 0.0 112.026 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -57.71 -40.96 75.29 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.984 1.79 . . . . 0.0 112.937 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -57.11 -45.59 83.32 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.22 1.373 . . . . 0.0 112.154 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 N--CA 1.472 0.651 0 C-N-CA 125.112 1.365 . . . . 0.0 111.95 178.098 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.292 0 N-CA-C 109.216 -1.553 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 115' ' ' LEU . 15.8 mt -134.97 120.58 14.19 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.077 1.751 . . . . 0.0 107.207 170.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -81.29 174.53 10.59 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 122.966 2.444 . . . . 0.0 114.03 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -117.75 62.82 0.75 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.714 1.606 . . . . 0.0 108.566 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.76 170.42 12.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.438 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 77.0 p -140.76 163.64 32.36 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.873 1.269 . . . . 0.0 109.446 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 80.0 p -55.32 -41.52 72.53 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.885 -0.509 . . . . 0.0 110.647 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -55.83 -56.84 15.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.129 1.372 . . . . 0.0 111.511 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.1 -49.52 68.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.675 0.79 . . . . 0.0 111.423 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.75 -49.67 76.83 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.605 1.162 . . . . 0.0 111.928 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -56.01 -48.35 76.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.605 1.562 . . . . 0.0 111.369 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.65 -51.21 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.334 1.854 . . . . 0.0 112.369 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.61 -40.17 64.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.499 1.12 . . . . 0.0 113.786 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.29 75.66 52.08 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.579 1.152 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.54 136.76 75.48 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.786 2.99 . . . . 0.0 112.67 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.22 129.79 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.931 1.293 . . . . 0.0 109.164 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 125.261 1.424 . . . . 0.0 113.301 -176.636 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.57 135.46 51.54 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 129.393 3.077 . . . . 0.0 106.972 171.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -141.16 168.67 19.22 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.56 -142.17 40.85 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 127.251 2.358 . . . . 0.0 115.814 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.57 -33.16 59.78 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 117.994 0.897 . . . . 0.0 113.084 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -55.5 -33.17 63.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.98 0.912 . . . . 0.0 112.0 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.18 -57.27 13.32 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.56 -46.43 80.72 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.49 1.116 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.2 -48.61 73.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.201 1.0 . . . . 0.0 110.993 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.11 83.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.01 1.324 . . . . 0.0 111.584 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.43 -45.15 92.37 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 111.967 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.5 -23.27 65.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.48 -17.74 47.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.69 118.05 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.355 1.062 . . . . 0.0 113.026 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.601 0.239 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.13 125.73 91.84 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.6 1.16 . . . . 0.0 113.012 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.0 -49.01 18.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.083 3.189 . . . . 0.0 114.948 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.36 -45.47 93.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.816 0.846 . . . . 0.0 111.487 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.28 -38.82 66.29 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.029 0.831 . . . . 0.0 111.618 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -57.91 -47.61 82.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.373 0.988 . . . . 0.0 110.812 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -56.06 -48.08 76.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.881 1.272 . . . . 0.0 111.355 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.52 -42.28 96.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.094 1.358 . . . . 0.0 111.594 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.31 -52.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.803 1.241 . . . . 0.0 109.324 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -48.35 -49.5 34.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.814 1.645 . . . . 0.0 111.133 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -55.12 -60.87 2.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.445 1.498 . . . . 0.0 110.694 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -53.81 -40.36 66.3 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.416 1.007 . . . . 0.0 112.315 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.84 -58.49 7.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.881 1.672 . . . . 0.0 109.871 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.65 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.716 1.206 . . . . 0.0 112.054 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.48 -48.41 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.28 0.946 . . . . 0.0 112.085 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.36 -43.3 92.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.421 1.489 . . . . 0.0 111.969 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -63.05 -49.82 73.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.207 1.003 . . . . 0.0 110.483 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.11 -50.39 66.99 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.901 0.88 . . . . 0.0 110.178 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.73 7.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.56 1.544 . . . . 0.0 112.744 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.05 -44.73 83.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.58 -0.7 . . . . 0.0 112.76 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -53.72 -52.0 61.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.162 0.985 . . . . 0.0 110.703 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 128.459 2.703 . . . . 0.0 110.548 177.047 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.3 m80 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.84 -54.54 32.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.583 1.553 . . . . 0.0 110.794 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.248 -0.908 . . . . 0.0 112.796 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -60.7 -50.62 72.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.697 0.681 . . . . 0.0 109.192 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mmt -59.77 -39.29 84.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.335 -0.841 . . . . 0.0 112.096 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -60.4 -45.16 94.57 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.67 1.577 . . . . 0.0 111.494 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -59.19 -47.73 84.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.539 0.736 . . . . 0.0 110.212 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.86 -48.51 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.459 1.503 . . . . 0.0 110.913 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.19 -50.16 67.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.072 2.549 . . . . 0.0 111.853 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -57.57 -42.09 82.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.465 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.61 -51.72 46.87 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.788 0.835 . . . . 0.0 111.124 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.8 mtp -42.91 -49.48 5.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.579 2.352 . . . . 0.0 114.658 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -59.87 -46.37 89.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.904 0.881 . . . . 0.0 112.588 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -74.25 -45.94 44.71 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.981 1.712 . . . . 0.0 113.293 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.444 ' HB3' HH22 ' A' ' 68' ' ' ARG . 43.3 t -60.99 133.38 56.04 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.384 1.874 . . . . 0.0 112.895 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -113.9 -8.4 13.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.803 1.641 . . . . 0.0 113.565 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.06 92.36 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.099 1.36 . . . . 0.0 112.941 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.63 -99.83 0.1 OUTLIER Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.766 1.65 . . . . 0.0 113.866 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -56.35 -43.02 78.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.636 1.175 . . . . 0.0 111.565 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.02 -18.67 60.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.884 . . . . 0.0 115.475 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.85 126.7 29.33 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.563 1.074 . . . . 0.0 110.777 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -30.35 71.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.209 1.403 . . . . 0.0 113.84 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.38 117.62 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.897 1.279 . . . . 0.0 110.637 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -54.07 17.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.674 1.59 . . . . 0.0 112.838 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -58.94 -46.15 88.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.282 1.433 . . . . 0.0 112.502 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.39 -48.31 81.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.926 1.29 . . . . 0.0 111.433 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.01 -57.03 14.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.291 1.036 . . . . 0.0 111.406 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.4 p -62.38 -50.74 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.432 1.893 . . . . 0.0 115.195 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.0 p -45.64 -40.45 9.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.896 2.078 . . . . 0.0 115.459 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.444 HH22 ' HB3' ' A' ' 53' ' ' CYS . 34.5 mtt180 -61.6 -33.7 74.36 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.865 -1.147 . . . . 0.0 112.809 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -49.7 36.66 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.426 1.012 . . . . 0.0 111.995 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 pt -52.41 -47.07 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.063 0.847 . . . . 0.0 112.165 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.6 -36.93 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.146 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -54.53 -53.46 54.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.974 0.807 . . . . 0.0 110.089 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.96 -59.99 4.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.681 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -63.52 -46.28 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.61 -0.681 . . . . 0.0 112.374 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -72.14 -40.36 68.11 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.1 t -60.78 130.08 44.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.1 1.76 . . . . 0.0 113.71 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.9 p -134.15 18.87 3.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.413 2.285 . . . . 0.0 111.734 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -60.93 146.72 45.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.235 2.214 . . . . 0.0 112.599 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -53.47 -51.26 63.3 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.165 1.386 . . . . 0.0 111.113 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -145.83 118.37 8.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.493 1.517 . . . . 0.0 111.41 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.41 142.5 38.93 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 128.339 2.656 . . . . 0.0 105.697 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.22 -13.47 16.23 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 117.484 -173.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.48 -49.52 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.889 1.222 . . . . 0.0 111.038 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.8 m -53.52 -51.35 63.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.714 2.006 . . . . 0.0 113.05 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.88 -59.95 10.96 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.095 1.358 . . . . 0.0 112.96 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.05 -33.41 98.61 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.976 1.784 . . . . 0.0 113.246 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.52 -47.25 76.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.358 -0.839 . . . . 0.0 111.305 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.258 1.423 . . . . 0.0 111.131 176.88 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 112.358 -0.297 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 mt -90.42 137.98 27.19 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.493 1.117 . . . . 0.0 111.217 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -83.27 177.77 6.28 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.679 2.92 . . . . 0.0 113.298 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -114.03 60.46 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.161 1.384 . . . . 0.0 108.733 172.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.3 mt -68.81 158.08 35.13 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.536 1.135 . . . . 0.0 110.379 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.8 p -132.87 167.77 19.6 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.685 1.194 . . . . 0.0 111.057 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.1 p -54.76 -51.2 66.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.4 1.08 . . . . 0.0 110.429 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -51.67 -56.74 11.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.611 1.564 . . . . 0.0 111.844 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -52.88 -51.15 62.19 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.811 0.844 . . . . 0.0 111.975 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.31 -49.75 76.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.456 1.102 . . . . 0.0 112.284 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.6 -46.16 81.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.419 1.088 . . . . 0.0 111.694 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.95 -50.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.207 1.803 . . . . 0.0 112.23 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -71.61 -44.11 65.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.907 1.283 . . . . 0.0 114.19 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -132.18 75.87 74.01 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.843 1.257 . . . . 0.0 111.969 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.22 138.97 72.72 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.89 3.06 . . . . 0.0 112.777 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.1 mt -78.46 125.53 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.041 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.453 0.644 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 124.7 51.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.105 2.562 . . . . 0.0 106.729 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -146.3 162.07 38.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.433 1.093 . . . . 0.0 113.875 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.09 -146.26 48.86 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.987 1.756 . . . . 0.0 114.514 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.72 -35.99 56.71 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.104 0.962 . . . . 0.0 113.409 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.14 -35.87 49.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.859 1.264 . . . . 0.0 112.122 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.69 -62.48 1.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.306 1.042 . . . . 0.0 108.805 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.41 -45.35 80.69 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.694 1.198 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -52.79 -50.26 63.95 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.394 1.078 . . . . 0.0 111.101 175.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.1 -49.53 74.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.568 1.147 . . . . 0.0 111.968 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.67 -44.37 85.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.381 0.991 . . . . 0.0 112.611 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.6 -33.58 72.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.561 . . . . 0.0 114.708 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.85 -16.0 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -60.73 -36.92 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.35 1.46 . . . . 0.0 111.804 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.197 1.399 . . . . 0.0 114.421 -175.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.89 134.91 12.44 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.857 1.263 . . . . 0.0 111.797 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.18 -49.15 14.76 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.851 3.034 . . . . 0.0 114.513 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.27 -40.7 98.12 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.236 -0.915 . . . . 0.0 112.224 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.67 -38.75 82.32 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 0.772 . . . . 0.0 110.367 173.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -62.11 -46.3 89.66 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.637 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -53.69 -48.35 69.59 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 120.014 1.279 . . . . 0.0 111.063 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.83 -51.52 69.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.104 1.362 . . . . 0.0 111.122 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -54.73 -51.27 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.909 1.284 . . . . 0.0 110.101 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -52.05 -51.96 54.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.587 . . . . 0.0 111.555 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -53.24 -54.62 33.47 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 110.756 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.94 -39.04 87.97 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.002 0.921 . . . . 0.0 112.897 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.48 -54.31 45.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.799 1.64 . . . . 0.0 109.017 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.17 -53.91 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.636 1.174 . . . . 0.0 111.248 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -56.22 -46.22 79.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.64 -47.96 83.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.291 1.036 . . . . 0.0 112.498 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.81 -52.11 66.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.124 0.97 . . . . 0.0 110.809 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -54.6 -54.29 43.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.079 0.952 . . . . 0.0 110.613 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.0 -57.37 2.02 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.916 2.087 . . . . 0.0 114.524 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -69.85 -40.96 75.48 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.68 1.127 . . . . 0.0 113.201 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.76 -47.51 76.87 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.351 0.978 . . . . 0.0 110.263 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.553 1.095 0 C-N-CA 128.456 2.702 . . . . 0.0 111.357 174.223 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.8 m170 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.16 -49.35 66.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.659 1.584 . . . . 0.0 111.201 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.76 -49.77 61.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.733 1.613 . . . . 0.0 110.826 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -59.06 -52.72 64.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.456 1.102 . . . . 0.0 110.987 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -38.38 75.26 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.422 1.01 . . . . 0.0 112.039 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -63.12 -40.77 98.57 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.327 1.421 . . . . 0.0 111.706 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.11 -47.44 82.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.879 0.871 . . . . 0.0 110.227 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.17 -50.11 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.988 1.715 . . . . 0.0 110.146 175.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.29 -56.92 12.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.797 2.039 . . . . 0.0 110.829 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -51.6 -45.46 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.891 1.276 . . . . 0.0 111.897 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.89 -54.45 38.53 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.074 0.55 . . . . 0.0 111.329 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.262 14.4 ptt? -59.22 -25.05 63.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 p -70.88 -39.45 72.84 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.416 1.462 . . . . 0.0 111.207 174.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -73.3 -55.96 5.71 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.583 1.553 . . . . 0.0 111.288 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.52 146.57 51.38 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.253 1.421 . . . . 0.0 110.65 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -130.2 -2.33 4.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.322 1.449 . . . . 0.0 113.492 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.32 -63.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.343 1.057 . . . . 0.0 111.774 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.38 -72.88 0.45 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.203 1.382 . . . . 0.0 113.633 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -59.13 -53.4 58.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.208 1.803 . . . . 0.0 110.691 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.35 -19.95 41.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.538 1.535 . . . . 0.0 114.355 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -61.21 122.88 16.16 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.047 0.839 . . . . 0.0 110.187 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.19 -24.41 65.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.785 1.234 . . . . 0.0 113.269 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.78 115.19 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.11 1.364 . . . . 0.0 110.042 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.07 -51.89 22.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.014 1.726 . . . . 0.0 112.324 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -60.1 -44.56 94.73 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.335 1.454 . . . . 0.0 113.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.4 t -55.84 -55.85 27.6 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.262 1.392 . . . . 0.0 110.269 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.34 -46.2 65.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.101 1.36 . . . . 0.0 112.553 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -69.53 -58.86 3.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.818 1.647 . . . . 0.0 114.106 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 p -49.47 -49.02 47.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.023 2.129 . . . . 0.0 113.29 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -51.53 -51.82 52.16 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.439 -0.788 . . . . 0.0 110.715 174.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -55.18 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.299 1.839 . . . . 0.0 112.597 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -55.79 -43.63 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.007 0.822 . . . . 0.0 112.842 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.5 mm -69.49 -40.59 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.794 0.725 . . . . 0.0 111.549 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -54.0 -50.12 67.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.334 1.053 . . . . 0.0 109.859 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -58.34 -60.79 3.22 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.753 0.821 . . . . 0.0 109.806 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -50.95 -44.48 60.45 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -65.36 -50.5 65.32 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.938 0.79 . . . . 0.0 112.167 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.23 -45.13 89.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.382 1.073 . . . . 0.0 113.226 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.57 125.22 23.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.28 1.432 . . . . 0.0 112.607 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 p -133.3 20.85 4.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.484 2.314 . . . . 0.0 110.68 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 12.3 ttm-85 -65.04 136.79 57.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.654 2.382 . . . . 0.0 110.777 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -70.84 -9.46 57.63 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -148.33 27.81 0.92 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.405 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.7 t -64.42 136.29 96.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 CA-C-N 120.165 1.348 . . . . 0.0 107.771 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -60.7 -7.02 6.61 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.042 3.161 . . . . 0.0 116.571 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.29 -52.67 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.497 1.044 . . . . 0.0 110.685 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.54 -47.19 73.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.985 1.714 . . . . 0.0 112.393 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.23 -62.29 5.52 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -58.55 -38.43 89.79 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 121.947 1.731 . . . . 0.0 113.611 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.95 -40.27 92.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.125 -0.985 . . . . 0.0 112.002 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 124.523 1.129 . . . . 0.0 109.266 173.716 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -98.65 115.86 65.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.039 0.936 . . . . 0.0 108.593 173.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -80.12 173.77 12.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.189 2.593 . . . . 0.0 113.055 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.02 66.01 0.67 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.042 1.337 . . . . 0.0 108.658 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.9 169.75 12.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.377 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 62.4 p -139.47 169.01 18.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.147 0.979 . . . . 0.0 110.577 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 6.4 p -53.59 -52.79 58.65 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 108.743 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -50.55 -57.95 6.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.758 1.623 . . . . 0.0 112.325 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.93 -50.73 65.79 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.052 0.842 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.52 -48.53 80.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.214 1.006 . . . . 0.0 111.895 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.6 -47.57 76.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.598 1.559 . . . . 0.0 111.547 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.2 -50.81 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.306 1.843 . . . . 0.0 112.193 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -73.74 -40.69 63.34 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.0 76.6 39.22 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.983 1.313 . . . . 0.0 111.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.31 135.92 72.68 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.787 2.991 . . . . 0.0 113.29 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.0 mt -64.27 131.01 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.621 1.169 . . . . 0.0 108.998 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.348 0.594 . . . . 0.0 111.291 178.593 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 122.075 0.94 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 131.58 48.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.495 2.718 . . . . 0.0 107.476 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.5 161.33 41.86 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.29 -146.12 48.45 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.849 1.69 . . . . 0.0 114.489 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.53 -31.12 63.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.525 -0.985 . . . . 0.0 113.392 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.06 -34.89 58.58 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.221 1.008 . . . . 0.0 111.839 174.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 32.4 mt -57.02 -61.0 2.76 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -55.2 -43.32 74.32 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.346 1.458 . . . . 0.0 112.215 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -57.54 -48.43 79.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.603 1.161 . . . . 0.0 110.457 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.19 95.72 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.527 1.131 . . . . 0.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.19 -40.47 94.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.771 1.228 . . . . 0.0 113.226 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.6 -40.01 78.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.688 1.195 . . . . 0.0 113.713 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -52.72 -17.26 1.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.61 -37.57 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.575 1.55 . . . . 0.0 111.843 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.643 0.259 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.84 138.71 16.24 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.005 1.722 . . . . 0.0 111.541 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -62.89 -29.38 76.2 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.295 2.663 . . . . 0.0 114.396 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.8 -41.5 74.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.936 1.244 . . . . 0.0 110.534 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.13 -34.11 65.79 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.0 0.818 . . . . 0.0 111.66 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -57.1 -46.44 82.58 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.524 1.056 . . . . 0.0 110.765 173.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -55.82 -51.31 67.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.932 1.293 . . . . 0.0 110.839 174.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -54.59 -52.45 62.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.71 1.604 . . . . 0.0 111.052 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.49 -53.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.122 1.769 . . . . 0.0 110.059 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -47.56 -54.23 12.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.871 1.668 . . . . 0.0 111.716 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.8 -53.58 55.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.776 -1.107 . . . . 0.0 111.647 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.62 -43.26 65.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.808 1.64 . . . . 0.0 112.869 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.87 -59.33 4.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.369 1.867 . . . . 0.0 110.146 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.44 -43.64 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.776 1.23 . . . . 0.0 112.16 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.39 -51.0 71.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.372 0.987 . . . . 0.0 111.411 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.47 -43.19 83.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.831 1.652 . . . . 0.0 112.231 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.94 -51.7 67.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.437 1.095 . . . . 0.0 110.52 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -55.91 -47.39 77.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.318 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.79 -56.16 4.01 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.565 1.546 . . . . 0.0 113.068 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -68.95 -38.55 79.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.155 -0.966 . . . . 0.0 112.764 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -57.17 -43.2 82.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.743 1.156 . . . . 0.0 111.081 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 128.552 2.741 . . . . 0.0 109.982 173.755 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 m170 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 42.6 t -42.81 -57.06 2.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.488 1.915 . . . . 0.0 113.694 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -60.54 -29.73 69.32 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.6 m -62.97 -51.1 68.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.324 0.966 . . . . 0.0 108.516 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -38.17 76.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.3 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 43.9 mttp -61.04 -44.03 98.01 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.535 1.516 . . . . 0.0 111.848 174.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -60.6 -48.36 82.12 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 110.106 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.45 -54.39 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.832 1.653 . . . . 0.0 109.858 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.38 -54.05 19.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.523 2.729 . . . . 0.0 112.2 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -54.71 -45.15 73.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.459 1.103 . . . . 0.0 111.974 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.79 -47.96 70.49 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.629 -0.669 . . . . 0.0 110.544 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -48.02 5.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.123 2.569 . . . . 0.0 115.105 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.5 p -63.87 -51.04 66.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.817 1.247 . . . . 0.0 112.408 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -66.84 -44.82 80.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.952 1.701 . . . . 0.0 112.55 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.67 132.31 50.69 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.994 1.718 . . . . 0.0 111.553 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -118.53 -2.9 10.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.124 1.77 . . . . 0.0 112.762 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.89 82.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.995 1.318 . . . . 0.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.67 -99.59 0.08 OUTLIER Glycine 0 N--CA 1.471 1.025 0 C-N-CA 125.837 1.684 . . . . 0.0 113.166 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -55.14 -42.39 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.983 1.713 . . . . 0.0 111.412 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 -18.25 56.56 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.992 1.717 . . . . 0.0 115.543 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.91 122.26 17.79 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.009 1.277 . . . . 0.0 110.1 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -67.05 -26.35 66.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.673 1.189 . . . . 0.0 113.344 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.6 118.14 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.151 1.381 . . . . 0.0 110.254 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.27 2.24 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.603 1.561 . . . . 0.0 112.376 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -51.41 -44.84 62.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.924 1.69 . . . . 0.0 113.074 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.85 -51.34 70.42 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.557 1.543 . . . . 0.0 111.398 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.55 73.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.876 1.271 . . . . 0.0 112.386 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.5 p -67.45 -49.28 64.34 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -52.25 -38.97 59.69 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -61.53 -47.43 85.6 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.742 -1.224 . . . . 0.0 110.676 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -54.7 34.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.475 1.91 . . . . 0.0 112.45 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.19 -42.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.0 mm -71.47 -39.78 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.64 -0.663 . . . . 0.0 111.246 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -53.53 -47.74 69.7 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.056 0.942 . . . . 0.0 109.809 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.17 -63.17 1.36 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.249 1.02 . . . . 0.0 109.726 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.04 -46.17 52.83 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.21 -51.13 70.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.584 0.629 . . . . 0.0 112.425 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -70.35 -42.98 71.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.541 1.136 . . . . 0.0 114.062 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.47 130.79 44.11 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.543 1.537 . . . . 0.0 112.792 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -133.07 9.94 4.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.636 1.974 . . . . 0.0 111.766 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.77 119.61 8.51 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.463 1.505 . . . . 0.0 108.2 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -2.42 3.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.21 23.8 1.47 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.698 1.599 . . . . 0.0 114.814 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.3 135.11 93.52 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 120.127 1.33 . . . . 0.0 108.064 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -59.39 -11.83 14.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.223 3.282 . . . . 0.0 116.616 -175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.3 -51.96 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.413 1.006 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.01 -49.39 71.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.023 1.729 . . . . 0.0 113.134 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.86 -61.44 5.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-O 117.445 -1.264 . . . . 0.0 112.374 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.18 -38.76 74.27 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.965 1.777 . . . . 0.0 112.966 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.49 -45.91 90.34 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.169 0.895 . . . . 0.0 111.724 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 N--CA 1.472 0.645 0 C-N-CA 124.703 1.201 . . . . 0.0 110.578 176.188 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 115' ' ' LEU . 14.7 mt -135.57 121.07 13.78 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.959 1.704 . . . . 0.0 107.295 170.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.53 -178.39 4.41 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.335 2.024 . . . . 0.0 111.765 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.17 57.61 1.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.479 1.512 . . . . 0.0 108.153 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.26 151.46 46.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.582 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.5 p -122.83 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.678 1.191 . . . . 0.0 110.749 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.7 p -54.11 -53.03 58.79 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 108.874 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.46 -57.44 8.99 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.833 1.653 . . . . 0.0 112.615 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -52.92 -51.92 59.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.012 0.824 . . . . 0.0 111.997 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 90.6 m -62.27 -47.36 84.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.128 0.971 . . . . 0.0 112.16 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.06 -45.93 75.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.06 1.344 . . . . 0.0 111.785 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -65.06 -51.48 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.387 1.875 . . . . 0.0 112.512 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.72 -33.57 46.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 71.9 40.46 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.474 1.51 . . . . 0.0 111.811 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.68 136.3 70.5 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.933 3.088 . . . . 0.0 113.763 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.24 129.92 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.791 1.237 . . . . 0.0 109.16 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 123.872 0.869 . . . . 0.0 111.3 179.273 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.79 127.32 31.62 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.68 1.992 . . . . 0.0 107.896 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -135.46 160.36 38.7 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 57.35 -143.37 41.52 Favored Glycine 0 N--CA 1.47 0.904 0 C-N-CA 127.061 2.267 . . . . 0.0 115.832 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.54 -31.01 61.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.294 1.047 . . . . 0.0 113.821 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -54.8 -32.9 60.8 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.519 0.728 . . . . 0.0 111.905 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.81 -62.58 1.64 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.12 -47.43 71.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.572 1.149 . . . . 0.0 111.409 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.82 -49.54 68.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.868 1.267 . . . . 0.0 111.227 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.36 89.77 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.546 1.138 . . . . 0.0 111.524 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.92 -38.42 90.9 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.388 1.075 . . . . 0.0 113.222 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.75 -32.52 72.78 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.17 1.388 . . . . 0.0 114.528 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.41 -20.1 58.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.26 117.71 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.714 1.205 . . . . 0.0 110.658 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.754 1.222 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 140.71 15.68 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.883 1.273 . . . . 0.0 112.017 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -57.11 -38.6 95.16 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.253 2.636 . . . . 0.0 113.793 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.07 -44.82 91.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.53 1.059 . . . . 0.0 110.647 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.32 -34.86 71.07 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.519 -0.738 . . . . 0.0 111.07 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -64.72 -46.34 82.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.446 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -52.56 -50.98 61.86 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.855 1.207 . . . . 0.0 111.082 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.12 -51.03 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.356 1.463 . . . . 0.0 111.427 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.6 -52.9 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.338 1.455 . . . . 0.0 110.163 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -49.25 -54.38 17.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.769 1.627 . . . . 0.0 111.298 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -53.48 -60.19 3.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.282 1.433 . . . . 0.0 110.576 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -55.08 -38.93 68.71 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.18 -53.78 51.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.298 1.439 . . . . 0.0 109.492 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.33 -46.44 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.719 1.208 . . . . 0.0 111.269 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.78 -49.27 68.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.926 0.89 . . . . 0.0 111.627 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.0 tp -62.61 -45.19 94.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.147 1.379 . . . . 0.0 112.763 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.33 -47.62 83.15 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.928 -0.483 . . . . 0.0 110.298 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -57.52 -49.18 77.17 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.306 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.92 -50.87 10.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.016 1.726 . . . . 0.0 113.793 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -62.84 -48.41 79.17 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.402 -0.811 . . . . 0.0 111.362 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -42.64 75.85 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 119.178 0.899 . . . . 0.0 112.296 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 127.266 2.226 . . . . 0.0 109.862 177.47 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.44 -41.89 86.13 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.229 0.922 . . . . 0.0 108.932 170.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -50.0 -49.6 50.1 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.122 1.369 . . . . 0.0 110.771 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 m -55.63 -57.44 11.97 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.385 1.474 . . . . 0.0 109.762 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mmt -57.85 -43.5 85.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -59.58 -45.1 92.86 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.753 1.615 . . . . 0.0 112.029 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.17 -49.88 75.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.632 0.773 . . . . 0.0 110.461 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.47 -49.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.188 1.795 . . . . 0.0 111.242 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.95 -58.4 6.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.201 2.601 . . . . 0.0 110.361 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -50.9 -48.82 60.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.421 1.088 . . . . 0.0 111.559 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.23 -54.12 48.22 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.479 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -56.31 -29.62 61.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.25 92.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.884 1.22 . . . . 0.0 112.146 174.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -78.03 -52.53 8.64 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.234 1.414 . . . . 0.0 111.442 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.31 135.41 56.48 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.024 2.13 . . . . 0.0 111.109 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -114.36 -0.68 13.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.58 1.152 . . . . 0.0 112.659 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.06 -76.01 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 111.768 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 -66.34 1.94 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.928 1.252 . . . . 0.0 112.297 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.63 -49.86 73.74 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.615 1.966 . . . . 0.0 111.548 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.11 -12.15 26.98 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.216 1.807 . . . . 0.0 115.202 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -63.0 132.85 53.41 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.244 0.929 . . . . 0.0 110.62 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.03 -34.23 77.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.241 1.416 . . . . 0.0 113.662 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.57 124.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.029 1.332 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.28 1.79 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.11 1.364 . . . . 0.0 112.694 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -54.63 -35.58 63.61 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.348 1.859 . . . . 0.0 114.844 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.28 -46.33 69.24 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.874 2.07 . . . . 0.0 111.429 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.18 -55.57 17.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.354 1.061 . . . . 0.0 111.261 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -53.91 -56.32 18.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.185 1.794 . . . . 0.0 113.451 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 p -53.22 -39.41 63.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.06 1.744 . . . . 0.0 113.34 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.8 -50.45 68.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.313 0.96 . . . . 0.0 109.539 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -54.62 25.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.117 1.767 . . . . 0.0 113.414 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.32 -45.94 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 118.806 0.73 . . . . 0.0 112.645 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.43 -39.33 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.428 0.691 . . . . 0.0 111.534 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.1 m -54.24 -51.41 64.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.948 1.299 . . . . 0.0 110.05 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -58.72 -60.49 3.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.599 0.76 . . . . 0.0 109.816 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.435 ' CH2' HG22 ' B' ' 148' ' ' VAL . 10.8 t90 -51.39 -45.05 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -45.24 93.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 111.747 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.78 -49.49 25.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.32 125.73 24.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 112.988 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -135.43 24.63 3.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.545 1.938 . . . . 0.0 110.395 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.406 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 18.5 ttm-85 -61.96 142.31 57.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.696 2.398 . . . . 0.0 111.607 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -65.04 -19.4 65.97 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.85 31.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.406 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.4 t -65.33 136.53 96.41 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 120.406 1.457 . . . . 0.0 107.317 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -59.99 -11.73 16.43 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 124.026 3.151 . . . . 0.0 116.741 -175.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.3 -49.54 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.497 1.044 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 m -56.17 -48.21 76.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.801 1.64 . . . . 0.0 112.761 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.95 -61.94 4.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.061 -1.447 . . . . 0.0 112.838 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -58.04 -35.62 98.61 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.497 2.131 . . . . 0.0 113.748 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.45 -48.48 64.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.006 0.923 . . . . 0.0 111.793 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.6 tttm . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 126.122 1.769 . . . . 0.0 111.473 177.92 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.908 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' B' ' 115' ' ' LEU . 0.2 OUTLIER -139.54 118.12 8.84 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.716 1.606 . . . . 0.0 108.858 178.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -81.43 -173.88 1.98 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.989 3.126 . . . . 0.0 112.671 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.32 66.21 1.0 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.911 1.684 . . . . 0.0 108.315 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.24 168.55 15.56 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.092 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 70.0 p -136.98 174.2 10.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.432 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.9 p -52.3 -55.5 21.01 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.103 1.361 . . . . 0.0 109.0 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -50.23 -61.54 2.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.43 1.492 . . . . 0.0 112.359 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.74 -50.82 65.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.9 0.773 . . . . 0.0 112.869 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.89 -49.9 73.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.569 0.748 . . . . 0.0 112.168 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.61 -42.74 83.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.778 1.231 . . . . 0.0 111.602 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.94 -51.26 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.988 1.715 . . . . 0.0 111.871 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -71.9 -39.18 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.36 74.59 60.61 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.392 1.077 . . . . 0.0 112.215 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.14 140.11 86.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.911 3.074 . . . . 0.0 113.774 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.6 mt -69.45 128.42 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.791 1.236 . . . . 0.0 108.241 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -175.334 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 135.98 57.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 130.346 3.458 . . . . 0.0 108.866 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -125.21 159.24 32.06 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.867 1.802 . . . . 0.0 115.867 -173.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 38.54 -128.94 1.82 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 128.379 2.895 . . . . 0.0 117.642 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.03 -38.6 57.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.977 1.311 . . . . 0.0 113.747 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -56.54 -31.7 64.4 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.931 0.893 . . . . 0.0 112.138 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.75 -60.96 2.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.149 0.886 . . . . 0.0 108.899 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.01 -40.8 81.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.641 0.776 . . . . 0.0 111.708 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -57.36 -48.83 78.0 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.873 0.869 . . . . 0.0 110.852 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.98 86.92 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.46 1.104 . . . . 0.0 111.046 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.1 -38.76 92.46 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.097 -1.002 . . . . 0.0 113.037 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.56 -31.68 73.01 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.168 1.387 . . . . 0.0 113.717 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.87 -23.36 43.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.685 1.194 . . . . 0.0 114.091 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . 0.435 HG22 ' CH2' ' A' ' 74' ' ' TRP . 33.2 t -62.35 -48.75 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.366 1.867 . . . . 0.0 112.199 179.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.3 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.935 2.494 . . . . 0.0 113.493 -172.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -140.3 133.28 14.88 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.351 1.46 . . . . 0.0 111.827 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.68 -45.67 26.97 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.169 3.246 . . . . 0.0 115.086 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.12 -43.64 98.57 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 111.47 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -62.85 -30.69 71.69 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.374 -0.828 . . . . 0.0 111.847 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -65.21 -40.43 94.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.286 0.948 . . . . 0.0 110.287 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -59.08 -44.05 91.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.189 0.996 . . . . 0.0 110.809 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.27 -52.05 67.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -55.08 -51.99 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.744 1.217 . . . . 0.0 110.118 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.95 -53.8 14.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.042 1.737 . . . . 0.0 111.7 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -53.72 -59.01 5.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.49 1.116 . . . . 0.0 110.484 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.03 -38.71 68.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.17 -58.97 5.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.096 1.758 . . . . 0.0 109.155 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.705 1.202 . . . . 0.0 111.942 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.94 -48.24 80.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.617 1.099 . . . . 0.0 112.153 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.3 -45.5 93.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.713 1.205 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.69 -48.84 79.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.941 0.497 . . . . 0.0 110.602 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.42 -52.33 59.73 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.351 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.02 -47.63 3.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.546 1.538 . . . . 0.0 114.686 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -78.63 -46.65 18.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.821 1.248 . . . . 0.0 112.31 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -50.96 -51.2 54.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.916 1.286 . . . . 0.0 110.731 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 129.469 3.108 . . . . 0.0 111.221 177.057 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 t -50.49 -48.22 56.87 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.122 0.874 . . . . 0.0 110.332 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -50.56 -41.72 54.51 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 174.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -58.73 -56.2 25.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 108.522 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -36.16 73.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.077 . . . . 0.0 112.957 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -63.52 -46.56 85.45 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.25 1.841 . . . . 0.0 112.046 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -57.68 -47.47 82.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.485 0.714 . . . . 0.0 109.865 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.52 -58.5 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.152 1.781 . . . . 0.0 110.056 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -44.21 -56.2 4.28 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.945 2.898 . . . . 0.0 112.13 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -51.55 -57.89 7.83 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.281 1.032 . . . . 0.0 111.163 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -57.11 -46.72 82.39 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -45.93 19.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.999 2.12 . . . . 0.0 112.954 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -43.7 96.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.734 0.813 . . . . 0.0 112.91 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -71.99 -41.7 67.33 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.377 1.071 . . . . 0.0 112.308 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.406 ' CB ' HH22 ' A' ' 68' ' ' ARG . 18.8 t -60.52 146.9 43.25 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.143 2.177 . . . . 0.0 111.991 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -131.92 -1.14 3.76 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.695 1.598 . . . . 0.0 112.982 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.46 -69.8 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.288 1.035 . . . . 0.0 111.697 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.0 -73.14 1.29 Allowed Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.875 1.226 . . . . 0.0 112.743 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -56.76 -44.93 82.24 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.993 1.717 . . . . 0.0 111.748 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.22 -5.54 24.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.5 t -66.6 124.94 24.21 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.223 1.374 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.73 -30.7 71.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.828 1.251 . . . . 0.0 113.504 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.33 113.99 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.832 1.253 . . . . 0.0 110.042 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.03 -56.17 6.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.444 1.897 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -61.57 -44.69 96.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.094 1.357 . . . . 0.0 113.52 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.26 -50.69 70.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.307 1.443 . . . . 0.0 110.835 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.1 13.55 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.01 . . . . 0.0 110.234 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -57.54 -51.77 68.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.822 2.449 . . . . 0.0 115.924 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 p -53.38 -30.27 38.93 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.208 1.803 . . . . 0.0 114.867 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.406 HH22 ' CB ' ' A' ' 53' ' ' CYS . 80.8 mtt85 -59.71 -54.4 46.84 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.088 -1.008 . . . . 0.0 111.812 173.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.0 -48.64 70.2 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.209 1.004 . . . . 0.0 113.362 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 pt -53.71 -44.7 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.093 0.86 . . . . 0.0 112.203 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.2 mm -73.5 -42.05 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.56 0.744 . . . . 0.0 111.494 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 m -52.67 -52.44 55.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.782 1.233 . . . . 0.0 110.648 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -58.96 -60.9 3.13 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.299 1.04 . . . . 0.0 109.431 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -48.68 -46.64 40.58 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -64.73 -47.84 76.79 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.661 -0.649 . . . . 0.0 112.492 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -67.19 -40.88 86.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.4 t -57.36 132.97 54.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.077 1.751 . . . . 0.0 113.86 -175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 p -131.63 4.76 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 127.286 2.234 . . . . 0.0 111.963 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.84 120.43 9.55 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.458 1.503 . . . . 0.0 108.98 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -2.84 6.95 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.14 23.86 1.66 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.539 1.535 . . . . 0.0 114.696 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.94 136.52 95.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 119.682 1.128 . . . . 0.0 108.301 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -56.77 -21.53 40.34 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.78 2.987 . . . . 0.0 116.491 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.63 -50.2 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.493 1.042 . . . . 0.0 111.376 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -55.91 -48.83 74.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.095 1.758 . . . . 0.0 112.8 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.08 -62.94 2.77 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.321 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -58.15 -41.28 68.98 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.075 1.85 . . . . 0.0 113.305 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 -44.26 91.66 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.405 -0.809 . . . . 0.0 111.951 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 124.846 1.258 . . . . 0.0 110.678 176.075 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.903 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 115' ' ' LEU . 0.2 OUTLIER -128.41 112.96 19.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.501 1.52 . . . . 0.0 107.831 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.38 173.39 14.36 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.03 2.487 . . . . 0.0 114.049 -173.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -119.9 69.07 0.84 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.101 1.76 . . . . 0.0 107.635 172.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.22 173.01 6.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.329 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -138.73 168.6 19.44 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.265 -0.897 . . . . 0.0 110.353 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.1 p -53.95 -53.14 56.86 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.803 0.841 . . . . 0.0 109.384 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.75 -56.3 14.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.383 1.473 . . . . 0.0 112.024 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.69 -52.95 44.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.474 0.71 . . . . 0.0 111.859 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.4 m -61.74 -48.87 78.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.719 0.808 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.12 -37.37 69.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.937 1.295 . . . . 0.0 112.436 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.91 -53.0 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.841 2.057 . . . . 0.0 112.456 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -75.82 -32.79 59.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.092 1.357 . . . . 0.0 114.185 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.22 72.63 59.16 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.204 1.402 . . . . 0.0 110.85 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.53 143.11 95.34 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.314 2.676 . . . . 0.0 111.862 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.4 mt -65.23 145.21 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 124.169 0.987 . . . . 0.0 108.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 123.831 0.852 . . . . 0.0 112.374 -178.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.958 0.885 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 118.19 7.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.868 2.467 . . . . 0.0 107.759 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -150.69 166.73 29.48 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.116 0.966 . . . . 0.0 113.192 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.62 -148.54 33.87 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.097 1.332 . . . . 0.0 112.934 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.9 -32.51 61.06 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.993 1.397 . . . . 0.0 113.015 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -51.18 -34.52 31.98 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.948 1.299 . . . . 0.0 112.402 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.86 -62.04 2.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.147 0.979 . . . . 0.0 109.298 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.48 -40.71 75.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.22 1.008 . . . . 0.0 111.298 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.2 -47.34 83.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.688 1.195 . . . . 0.0 110.677 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.13 -46.54 83.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.458 1.103 . . . . 0.0 111.68 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.65 -34.28 77.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.619 1.167 . . . . 0.0 112.095 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.64 -42.32 98.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.551 1.541 . . . . 0.0 113.06 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -52.59 -17.95 1.51 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.44 -37.05 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.921 1.688 . . . . 0.0 111.857 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.751 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.492 0.187 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -142.24 136.61 15.0 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.623 1.569 . . . . 0.0 111.673 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -52.96 -54.27 5.37 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.558 2.838 . . . . 0.0 113.559 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -62.35 -40.42 96.35 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.38 -0.825 . . . . 0.0 112.158 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.02 -38.2 72.81 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.03 1.286 . . . . 0.0 110.937 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -62.88 -46.04 89.71 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.337 0.972 . . . . 0.0 110.494 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.61 -47.07 73.86 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.603 1.161 . . . . 0.0 111.468 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.95 -48.15 82.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.58 1.552 . . . . 0.0 111.16 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.66 -49.57 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.164 1.386 . . . . 0.0 110.157 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -51.13 -51.23 55.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.654 1.582 . . . . 0.0 110.945 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -53.91 50.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.034 0.934 . . . . 0.0 110.722 175.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -58.53 -40.83 84.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.57 -55.7 28.88 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.134 1.774 . . . . 0.0 108.826 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.34 -53.64 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.27 1.428 . . . . 0.0 112.57 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.03 -42.2 80.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.952 1.251 . . . . 0.0 111.899 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.17 -47.63 83.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 0.0 111.797 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 mt -58.77 -50.7 72.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.932 0.893 . . . . 0.0 110.097 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.5 -51.42 62.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.115 1.366 . . . . 0.0 110.685 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.08 -45.54 8.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.242 1.417 . . . . 0.0 113.909 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -72.23 -49.13 37.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.328 1.051 . . . . 0.0 111.835 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -52.65 -45.2 66.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.968 1.307 . . . . 0.0 111.087 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 128.475 2.71 . . . . 0.0 111.408 177.194 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.3 t -49.12 -46.06 44.44 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.514 1.052 . . . . 0.0 111.38 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -49.62 -47.63 49.56 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.444 1.898 . . . . 0.0 112.472 174.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -56.46 -54.24 48.09 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.671 1.188 . . . . 0.0 109.404 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -39.43 88.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.127 -0.94 . . . . 0.0 112.652 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.27 -47.54 85.54 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.876 1.671 . . . . 0.0 111.346 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -57.04 -47.84 79.97 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.164 0.586 . . . . 0.0 110.251 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.12 -48.56 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.587 1.555 . . . . 0.0 111.169 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.31 -49.71 66.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.795 2.438 . . . . 0.0 111.845 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -59.45 -43.6 93.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.127 . . . . 0.0 111.751 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.66 -52.41 45.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.565 0.746 . . . . 0.0 111.212 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE3' HD22 ' B' ' 141' ' ' LEU . 26.4 mtp -39.97 -52.48 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.341 2.657 . . . . 0.0 114.424 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 p -59.06 -47.05 86.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.052 0.941 . . . . 0.0 112.774 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -72.88 -43.14 62.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.742 1.617 . . . . 0.0 112.946 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' HB3' HH22 ' A' ' 68' ' ' ARG . 45.7 t -60.11 120.79 10.4 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.646 1.978 . . . . 0.0 113.317 -178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -101.16 -10.48 20.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.477 1.511 . . . . 0.0 113.577 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.78 88.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.281 1.432 . . . . 0.0 113.499 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.1 -107.82 1.63 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.749 1.166 . . . . 0.0 112.761 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -57.15 -40.91 78.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.16 62.37 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.07 127.19 30.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.81 1.186 . . . . 0.0 110.79 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.78 -30.49 71.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.259 1.424 . . . . 0.0 113.817 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.54 118.47 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 110.622 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.63 -57.02 6.88 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.943 1.697 . . . . 0.0 113.107 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.79 -43.85 94.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.537 1.535 . . . . 0.0 113.116 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.76 -47.08 83.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.348 1.459 . . . . 0.0 111.901 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -56.07 18.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.497 0.719 . . . . 0.0 110.026 175.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.2 m -54.39 -53.37 54.89 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.472 2.309 . . . . 0.0 115.145 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -45.12 -45.07 11.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.405 2.282 . . . . 0.0 114.438 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.465 HH22 ' HB3' ' A' ' 53' ' ' CYS . 27.6 mtt180 -55.78 -41.01 73.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.765 0.826 . . . . 0.0 111.752 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.97 -51.45 54.98 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.802 1.183 . . . . 0.0 112.451 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -53.58 -44.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.652 1.114 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mm -70.64 -39.15 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -53.94 -53.63 50.07 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.641 0.655 . . . . 0.0 110.078 173.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -54.16 -64.78 0.72 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.254 1.021 . . . . 0.0 111.137 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -50.37 -48.12 55.93 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -66.78 -41.68 87.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -71.71 -41.02 69.09 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.3 t -57.14 129.7 42.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.277 1.831 . . . . 0.0 113.467 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.7 p -127.0 12.48 7.2 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.068 2.147 . . . . 0.0 112.155 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -64.63 139.58 58.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.985 1.714 . . . . 0.0 110.943 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -72.01 -23.21 61.36 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.98 34.99 1.56 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.55 136.96 96.95 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.69 -10.01 12.99 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.381 3.387 . . . . 0.0 117.119 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -126.42 -52.73 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.311 1.045 . . . . 0.0 110.267 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.83 -46.44 71.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.545 1.538 . . . . 0.0 112.328 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.66 -62.56 5.63 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-O 117.283 -1.341 . . . . 0.0 112.307 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -53.24 -41.02 75.52 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.081 1.779 . . . . 0.0 112.67 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.18 -57.92 10.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.756 0.823 . . . . 0.0 112.269 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt . . . . . 0 N--CA 1.479 1.008 0 CA-C-N 119.953 1.252 . . . . 0.0 112.847 -179.603 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.11 141.13 18.8 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.287 1.835 . . . . 0.0 111.081 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -83.65 177.42 6.29 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.709 2.939 . . . . 0.0 113.004 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -120.33 66.22 0.83 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.743 1.617 . . . . 0.0 108.32 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.9 mt -68.28 165.37 18.67 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 66.4 p -137.9 166.65 23.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.494 1.118 . . . . 0.0 110.436 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p -52.22 -50.31 62.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.836 0.855 . . . . 0.0 110.265 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -51.52 -57.71 8.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.651 1.58 . . . . 0.0 111.882 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -52.41 -52.38 54.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.693 0.797 . . . . 0.0 112.119 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.04 -50.15 75.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.304 1.042 . . . . 0.0 112.417 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -49.61 73.22 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.426 1.091 . . . . 0.0 111.749 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.9 t -59.98 -52.39 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.573 1.949 . . . . 0.0 112.492 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -73.48 -37.06 65.87 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.62 75.15 69.24 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.976 0.91 . . . . 0.0 112.484 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -51.62 126.96 21.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.26 3.306 . . . . 0.0 113.416 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 18.8 mt -71.81 129.59 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.31 1.444 . . . . 0.0 110.237 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 . . . . . 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 111.85 178.542 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 114.84 21.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 130.143 3.377 . . . . 0.0 105.239 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -148.32 166.71 27.22 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 -142.28 35.17 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.039 1.304 . . . . 0.0 112.956 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.77 -35.77 61.66 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.143 0.972 . . . . 0.0 112.769 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.31 -38.4 52.76 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.007 1.323 . . . . 0.0 112.389 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.423 HD22 ' HE3' ' A' ' 50' ' ' MET . 27.7 mt -54.88 -63.52 1.13 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.504 1.121 . . . . 0.0 109.228 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.27 -43.23 70.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.679 1.191 . . . . 0.0 111.519 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -56.18 -49.68 73.34 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.302 1.041 . . . . 0.0 110.935 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.77 78.1 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 112.099 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.93 -42.05 88.82 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.556 1.071 . . . . 0.0 111.799 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.92 -27.93 69.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.175 1.39 . . . . 0.0 114.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.31 -13.64 14.0 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.62 -59.62 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.877 1.271 . . . . 0.0 110.048 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.144 0 C-N-CA 128.347 2.659 . . . . 0.0 114.701 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.556 0.217 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.78 137.47 15.16 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.769 1.628 . . . . 0.0 111.024 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.7 -38.46 71.35 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.888 2.392 . . . . 0.0 113.513 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.49 -34.12 73.86 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.725 -1.234 . . . . 0.0 111.423 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.12 -41.53 98.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.885 -1.134 . . . . 0.0 109.499 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.51 -45.99 87.65 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.832 173.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -51.74 -50.38 60.7 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 119.822 1.192 . . . . 0.0 111.109 172.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.68 -47.28 85.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.611 1.165 . . . . 0.0 111.69 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -59.44 -46.78 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.39 1.476 . . . . 0.0 110.738 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.24 -54.81 22.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.919 1.288 . . . . 0.0 110.931 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.298 4.6 pp0? -63.06 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.262 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -53.1 -47.19 68.77 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.824 1.647 . . . . 0.0 111.399 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.78 -57.86 10.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.118 1.767 . . . . 0.0 109.482 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.53 -48.96 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.306 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.02 -46.96 86.88 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.598 1.09 . . . . 0.0 112.041 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.22 -45.1 92.01 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 110.94 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.95 -47.07 87.32 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.827 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -51.97 -52.01 53.36 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.115 0.87 . . . . 0.0 110.785 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.0 5.75 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.308 1.043 . . . . 0.0 113.134 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -73.22 -41.91 63.22 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.477 0.711 . . . . 0.0 112.656 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -52.81 -52.44 56.91 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.44 1.496 . . . . 0.0 111.028 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.9 t -53.15 -58.07 8.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 129.168 2.987 . . . . 0.0 110.017 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -50.93 -56.51 11.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.485 1.514 . . . . 0.0 111.905 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -53.02 -57.31 10.8 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.768 2.027 . . . . 0.0 111.594 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -54.11 -54.44 39.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.084 1.753 . . . . 0.0 111.388 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -52.94 -51.42 61.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.177 1.391 . . . . 0.0 112.148 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.27 -45.55 92.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.01 0.924 . . . . 0.0 112.223 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.71 -63.17 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.024 1.33 . . . . 0.0 112.463 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -158.03 124.37 4.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.424 1.49 . . . . 0.0 111.49 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.85 162.01 34.74 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.101 0.858 . . . . 0.0 113.801 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -144.16 -67.67 0.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.547 2.339 . . . . 0.0 106.438 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.68 139.31 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -48.23 128.92 14.91 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.22 74.99 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.748 1.219 . . . . 0.0 111.709 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.82 149.65 39.51 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.254 2.221 . . . . 0.0 114.414 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -135.87 -52.15 0.74 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.686 1.994 . . . . 0.0 112.193 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.6 mt -72.02 134.79 83.0 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.998 1.719 . . . . 0.0 111.787 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -63.45 -49.17 4.8 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.644 2.229 . . . . 0.0 112.927 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -61.81 -9.42 6.59 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 128.058 2.543 . . . . 0.0 116.447 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.5 t -47.01 -52.83 13.87 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 112.487 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -52.96 -41.43 64.52 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.675 1.19 . . . . 0.0 113.117 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -59.5 -51.95 67.66 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.55 0.74 . . . . 0.0 109.398 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.8 mmt -61.72 -36.11 79.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.946 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -60.64 -43.08 97.98 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 120.9 1.682 . . . . 0.0 111.108 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.92 -47.18 87.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.545 0.738 . . . . 0.0 110.086 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.8 -48.24 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 0.0 110.474 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.17 -52.45 51.85 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.44 2.296 . . . . 0.0 111.622 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -55.86 -48.31 75.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.579 1.152 . . . . 0.0 111.454 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.3 -51.82 68.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.811 0.845 . . . . 0.0 111.423 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.9 mtp -46.1 -48.54 17.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.829 1.652 . . . . 0.0 114.256 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.8 -40.83 98.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.982 0.913 . . . . 0.0 113.12 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -75.52 -50.95 14.12 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.885 1.274 . . . . 0.0 112.449 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.65 142.25 58.47 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.064 1.746 . . . . 0.0 111.245 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -130.17 0.8 4.67 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.528 1.931 . . . . 0.0 112.687 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -38.22 78.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.289 1.436 . . . . 0.0 113.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.4 -98.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.987 1.755 . . . . 0.0 113.883 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -54.57 -42.81 71.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.463 1.505 . . . . 0.0 111.424 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.6 56.44 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.961 1.704 . . . . 0.0 115.134 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -67.53 120.18 13.54 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.702 1.137 . . . . 0.0 110.268 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -68.72 -24.9 64.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.768 1.227 . . . . 0.0 113.341 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.8 t -64.31 119.71 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.261 1.424 . . . . 0.0 110.977 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.55 -53.44 14.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.227 1.811 . . . . 0.0 112.092 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -55.1 -54.06 47.94 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 0.0 113.249 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.8 t -55.28 -55.42 31.62 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.155 1.382 . . . . 0.0 111.039 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -45.78 66.14 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.634 1.173 . . . . 0.0 112.681 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.0 m -70.39 -55.91 7.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.574 1.549 . . . . 0.0 113.477 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -52.43 -44.02 65.19 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.046 2.138 . . . . 0.0 114.192 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.37 -46.65 85.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.067 -1.021 . . . . 0.0 110.184 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -55.64 32.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.148 1.779 . . . . 0.0 112.477 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.87 -46.96 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.346 0.975 . . . . 0.0 112.895 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.39 -40.39 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 118.508 0.594 . . . . 0.0 111.037 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.0 m -55.03 -48.11 73.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.648 0.779 . . . . 0.0 110.7 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -58.11 -63.06 1.39 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.782 0.833 . . . . 0.0 109.644 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -50.86 -44.29 59.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -59.51 -51.74 68.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.263 1.425 . . . . 0.0 112.14 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -73.11 -41.66 63.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.28 121.63 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.923 1.689 . . . . 0.0 112.81 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -134.53 23.2 3.7 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.411 2.285 . . . . 0.0 110.36 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -63.65 149.38 46.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 128.669 2.788 . . . . 0.0 111.995 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -48.97 -55.92 10.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.618 1.567 . . . . 0.0 111.133 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -147.71 123.56 10.62 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.633 1.573 . . . . 0.0 111.036 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.86 142.6 42.73 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 128.009 2.523 . . . . 0.0 105.776 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -61.69 -4.68 4.81 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.987 3.124 . . . . 0.0 116.874 -175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.62 -52.51 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.616 1.098 . . . . 0.0 110.502 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.81 -52.13 51.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.872 2.069 . . . . 0.0 112.772 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.6 -61.88 4.95 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.879 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -58.14 -35.85 98.38 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.266 1.977 . . . . 0.0 113.222 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.54 -49.1 72.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.139 -0.976 . . . . 0.0 111.997 175.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.88 -53.95 51.02 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.594 1.557 . . . . 0.0 111.421 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -117.92 91.5 3.59 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.98 1.712 . . . . 0.0 109.999 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.1 118.86 8.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.696 0.798 . . . . 0.0 110.671 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.6 m -56.26 -47.0 79.44 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.399 1.08 . . . . 0.0 111.687 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.31 122.76 26.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.994 1.318 . . . . 0.0 110.233 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -136.7 151.09 48.86 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.97 1.708 . . . . 0.0 111.373 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.018 2.127 . . . . 0.0 111.513 179.606 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 119.701 -0.19 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -146.97 141.15 26.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.66 1.984 . . . . 0.0 110.427 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -55.16 32.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.594 1.158 . . . . 0.0 112.527 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.67 70.36 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.548 0.739 . . . . 0.0 111.885 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.08 2.7 1.39 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.747 2.019 . . . . 0.0 115.941 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.97 118.59 2.7 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.459 1.481 . . . . 0.0 112.378 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 47.7 mt 37.42 58.63 1.27 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.384 2.274 . . . . 0.0 114.042 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.06 -34.2 68.01 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.475 -0.766 . . . . 0.0 111.043 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -41.27 -39.72 2.33 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 127.772 2.606 . . . . 0.0 114.012 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -42.25 -57.08 2.68 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.835 2.054 . . . . 0.0 112.241 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 49.8 m -91.62 -35.74 14.05 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.506 1.922 . . . . 0.0 112.738 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -32.11 61.99 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.995 1.318 . . . . 0.0 113.039 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.44 -34.17 60.91 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.823 1.649 . . . . 0.0 113.157 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.95 89.54 2.39 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.769 1.228 . . . . 0.0 111.091 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.6 m 67.67 -58.6 0.43 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.39 2.676 . . . . 0.0 114.654 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.47 -78.01 0.22 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.045 2.259 . . . . 0.0 109.637 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 93.3 mt -122.42 124.5 26.78 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.795 1.638 . . . . 0.0 108.696 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -81.63 179.21 5.91 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.684 2.922 . . . . 0.0 112.827 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -115.94 62.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.3 1.44 . . . . 0.0 109.191 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.44 166.83 19.56 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.978 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -139.74 168.36 20.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.602 1.161 . . . . 0.0 110.706 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 9.9 p -52.53 -52.77 53.09 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.304 1.042 . . . . 0.0 109.355 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -51.71 -57.87 7.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.458 1.503 . . . . 0.0 112.233 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.13 -52.27 59.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.946 0.899 . . . . 0.0 111.896 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.07 -48.24 82.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.463 1.105 . . . . 0.0 112.113 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.05 -46.85 75.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.501 1.52 . . . . 0.0 111.578 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 t -63.68 -50.75 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 126.434 1.894 . . . . 0.0 112.109 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.36 -43.08 61.39 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.6 75.71 68.23 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.658 1.183 . . . . 0.0 111.559 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.29 135.71 70.23 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.941 3.094 . . . . 0.0 113.936 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.1 mt -63.61 128.87 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.576 1.55 . . . . 0.0 108.903 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.23 138.77 56.03 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.952 0.901 . . . . 0.0 111.992 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.59 -88.58 1.59 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.687 1.137 . . . . 0.0 111.189 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 64.0 m -140.16 138.93 35.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.359 1.864 . . . . 0.0 110.336 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 61.8 mtm-85 -67.91 138.92 56.38 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.721 0.772 . . . . 0.0 112.108 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -147.86 -167.47 2.81 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 109.893 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 25.7 mt -144.27 94.71 2.61 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.478 1.911 . . . . 0.0 109.422 174.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 123.51 16.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.004 2.121 . . . . 0.0 107.035 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -145.89 164.34 32.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 61.64 -139.98 47.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.9 1.715 . . . . 0.0 114.553 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -49.84 -42.43 47.33 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.791 1.237 . . . . 0.0 113.175 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -54.27 -32.33 55.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.06 1.344 . . . . 0.0 112.923 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -56.96 -60.09 4.09 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.313 0.961 . . . . 0.0 109.237 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -57.25 -42.39 81.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.173 0.989 . . . . 0.0 111.219 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -57.95 -46.99 84.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.949 1.3 . . . . 0.0 110.938 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.71 84.96 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.32 1.048 . . . . 0.0 110.821 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.49 -30.75 71.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.98 -1.075 . . . . 0.0 113.1 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.52 -38.62 90.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.575 1.15 . . . . 0.0 112.631 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.27 -15.52 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.101 1.76 . . . . 0.0 115.395 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.87 -37.17 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.812 1.645 . . . . 0.0 111.769 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.292 1.437 . . . . 0.0 114.722 -176.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -121.09 83.68 38.69 Favored Pre-proline 0 CA--C 1.549 0.925 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.5 -106.52 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.618 2.878 . . . . 0.0 108.216 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -61.3 -18.09 56.8 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.25 -1.531 . . . . 0.0 112.214 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.43 -22.8 65.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.675 1.19 . . . . 0.0 112.11 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -53.17 -53.55 48.94 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.427 . . . . 0.0 109.707 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -54.75 -49.73 70.15 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.7 2.0 . . . . 0.0 111.083 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -56.68 -55.81 29.39 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.291 1.436 . . . . 0.0 111.378 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.59 -51.48 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.969 1.307 . . . . 0.0 110.201 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -49.99 -51.96 37.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.602 1.161 . . . . 0.0 111.357 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.87 -62.39 1.69 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.288 1.035 . . . . 0.0 110.852 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.71 -40.96 66.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.64 -55.07 39.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.725 1.21 . . . . 0.0 109.082 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.44 -49.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 112.254 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.43 -45.96 80.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.579 1.081 . . . . 0.0 111.874 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.91 -44.11 96.96 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.877 0.871 . . . . 0.0 111.857 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.77 -48.59 81.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.478 0.711 . . . . 0.0 109.794 175.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -52.91 -53.86 43.22 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.543 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.9 -52.37 2.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.272 1.429 . . . . 0.0 114.034 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -80.22 -38.83 30.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.185 -0.947 . . . . 0.0 113.108 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -54.42 -40.24 68.1 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.537 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.77 -59.13 5.3 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 130.234 3.414 . . . . 0.0 109.778 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.13 -52.0 62.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.968 1.307 . . . . 0.0 110.862 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -54.61 -48.76 71.82 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.436 1.894 . . . . 0.0 112.461 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -58.71 -45.59 89.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.161 0.984 . . . . 0.0 110.584 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.5 -37.51 78.49 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.483 0.713 . . . . 0.0 112.729 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -55.94 -47.93 76.66 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.465 1.03 . . . . 0.0 111.048 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.76 -44.45 77.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.443 1.097 . . . . 0.0 111.483 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 71.47 145.14 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 130.967 3.707 . . . . 0.0 112.934 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.74 162.68 32.68 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.366 1.46 . . . . 0.0 112.297 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.9 -53.09 52.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.291 1.037 . . . . 0.0 111.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.26 131.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.646 1.179 . . . . 0.0 109.645 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -49.35 141.29 9.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.114 1.366 . . . . 0.0 113.967 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.72 -66.99 0.83 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.021 0.928 . . . . 0.0 109.384 175.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -70.87 139.26 50.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.888 1.275 . . . . 0.0 112.305 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.7 p -135.62 -61.89 0.71 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.315 1.846 . . . . 0.0 111.914 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.45 135.81 94.06 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.122 1.769 . . . . 0.0 111.954 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.71 -43.37 7.43 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.178 2.586 . . . . 0.0 113.759 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -66.88 -9.62 39.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.489 1.516 . . . . 0.0 114.708 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -51.69 -48.08 63.63 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.334 1.454 . . . . 0.0 111.056 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -46.13 -50.56 15.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 111.828 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -62.42 -51.74 66.32 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.657 1.183 . . . . 0.0 110.643 177.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.0 mmt -58.63 -37.59 76.24 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -62.42 -41.4 98.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.583 1.538 . . . . 0.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -61.91 -49.48 76.01 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.603 0.761 . . . . 0.0 109.976 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.44 -51.87 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.184 1.394 . . . . 0.0 110.382 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.87 -54.08 33.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.66 2.384 . . . . 0.0 111.811 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.94 -46.85 75.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 111.375 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -61.71 -48.59 80.04 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.455 0.702 . . . . 0.0 111.324 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -44.25 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.215 2.606 . . . . 0.0 114.867 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -65.64 -44.26 86.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.747 0.819 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -70.76 -52.84 18.12 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.618 1.167 . . . . 0.0 112.145 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.02 147.44 52.09 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.917 1.287 . . . . 0.0 111.172 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.9 5.11 4.97 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.925 1.69 . . . . 0.0 112.542 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.88 -73.51 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.021 0.929 . . . . 0.0 112.015 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.51 -72.58 1.21 Allowed Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.628 1.109 . . . . 0.0 112.353 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -43.2 -51.74 5.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.078 2.551 . . . . 0.0 114.058 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.47 14.75 12.85 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.736 1.615 . . . . 0.0 114.184 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.08 143.05 58.17 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.738 0.815 . . . . 0.0 110.408 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.27 -40.92 95.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.953 1.301 . . . . 0.0 111.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -71.11 114.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.34 1.456 . . . . 0.0 108.898 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.08 -49.05 69.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.552 0.741 . . . . 0.0 112.107 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -57.07 -29.37 63.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.742 1.617 . . . . 0.0 114.498 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.15 -49.73 75.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 109.785 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.73 63.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.15 0.98 . . . . 0.0 111.602 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -63.52 1.23 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.196 1.399 . . . . 0.0 112.733 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 p -49.8 -43.41 48.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.115 2.166 . . . . 0.0 114.574 -176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -59.7 -51.18 70.88 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.532 -0.73 . . . . 0.0 110.34 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -54.95 41.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.005 1.722 . . . . 0.0 113.399 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -52.83 -44.17 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.217 0.917 . . . . 0.0 112.704 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.9 mm -70.61 -38.66 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.256 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.38 -46.96 66.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.83 0.741 . . . . 0.0 110.211 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -60.42 -66.24 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.176 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -50.72 -43.75 58.05 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.14 -52.28 63.79 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.408 1.483 . . . . 0.0 112.081 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -80.15 -33.72 38.26 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.14 119.27 5.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 113.063 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 p -132.11 23.59 4.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.063 2.545 . . . . 0.0 110.321 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -63.74 148.51 48.98 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 128.097 2.559 . . . . 0.0 111.339 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -51.55 -51.3 56.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.82 1.248 . . . . 0.0 111.164 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.82 131.28 15.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.631 1.572 . . . . 0.0 110.708 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.32 143.03 47.17 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 127.408 2.283 . . . . 0.0 105.109 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -62.84 -7.08 10.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.501 2.801 . . . . 0.0 116.616 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.05 -51.6 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.4 m -52.5 -48.99 65.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.236 1.814 . . . . 0.0 113.056 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.65 -62.06 5.69 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.625 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -58.37 -40.3 76.41 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.053 1.835 . . . . 0.0 112.71 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.58 -49.39 77.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.74 0.816 . . . . 0.0 111.555 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -55.64 -53.21 59.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.584 1.154 . . . . 0.0 109.377 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -51.68 -54.2 30.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.74 0.816 . . . . 0.0 111.514 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.67 -45.69 73.94 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.967 0.907 . . . . 0.0 112.544 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m -66.21 -48.35 70.9 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.86 1.664 . . . . 0.0 113.083 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -139.95 97.59 3.28 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.788 2.435 . . . . 0.0 111.069 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -76.81 160.4 29.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 111.91 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.55 1.54 . . . . 0.0 112.252 178.383 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -146.79 139.29 24.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.571 1.948 . . . . 0.0 109.324 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.89 -51.88 54.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.143 0.977 . . . . 0.0 112.466 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.51 -58.77 5.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.013 0.925 . . . . 0.0 109.995 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.3 35.87 0.4 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.976 1.311 . . . . 0.0 113.482 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 19.5 ptt-85 -43.83 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.557 2.343 . . . . 0.0 114.502 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.22 55.06 1.82 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.923 1.689 . . . . 0.0 108.83 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.64 100.42 3.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.06 -43.82 0.22 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 127.213 2.34 . . . . 0.0 109.816 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -45.15 -57.79 3.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.922 1.689 . . . . 0.0 111.729 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.5 p -74.39 -53.42 9.64 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.709 2.003 . . . . 0.0 111.879 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 72.6 mtp -42.64 -39.5 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.29 2.236 . . . . 0.0 114.017 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -52.43 -42.44 64.12 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.63 1.972 . . . . 0.0 113.106 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -95.02 -56.58 2.7 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.007 2.123 . . . . 0.0 111.927 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 34.2 m -58.97 -38.51 79.29 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.945 2.498 . . . . 0.0 114.671 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.59 -113.5 5.91 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 13.0 mt -134.41 108.6 11.21 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.701 1.601 . . . . 0.0 107.373 172.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.66 169.43 20.87 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.111 2.54 . . . . 0.0 112.768 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -117.78 63.69 0.75 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.541 1.537 . . . . 0.0 108.516 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.63 110.78 4.41 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.485 1.114 . . . . 0.0 108.568 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 51.9 p -72.24 170.61 13.7 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.778 0.799 . . . . 0.0 111.567 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -55.42 -50.57 69.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.618 1.167 . . . . 0.0 109.18 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -53.99 -55.85 23.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.9 1.68 . . . . 0.0 111.222 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -48.8 -60.38 2.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.693 0.797 . . . . 0.0 111.361 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.8 m -56.0 -52.24 64.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.798 1.239 . . . . 0.0 113.022 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -57.78 -46.93 83.9 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.784 1.233 . . . . 0.0 112.461 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.74 -45.93 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 111.449 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.04 -51.85 54.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.672 1.589 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -130.85 75.66 78.34 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.701 1.2 . . . . 0.0 111.726 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.28 133.88 58.05 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.94 3.093 . . . . 0.0 113.092 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 28.1 mt -66.72 144.61 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.246 1.418 . . . . 0.0 109.627 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.01 109.31 2.09 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.959 0.904 . . . . 0.0 109.903 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.24 -178.88 43.54 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.98 1.276 . . . . 0.0 113.836 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 37.4 m -75.41 79.01 2.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 113.263 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.04 150.27 45.58 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.016 2.526 . . . . 0.0 108.964 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -148.81 169.12 21.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.084 0.954 . . . . 0.0 112.446 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 13.6 mt 0.59 86.29 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.455 3.502 . . . . 0.0 116.905 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.47 47.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.712 2.805 . . . . 0.0 107.432 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.84 160.33 43.33 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -174.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.55 -149.22 46.48 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 126.276 1.893 . . . . 0.0 114.369 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.06 -31.09 62.86 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.533 1.167 . . . . 0.0 113.568 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -53.11 -33.12 50.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.309 1.044 . . . . 0.0 111.795 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 52.3 mt -57.23 -63.18 1.31 Allowed 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 108.929 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.48 -42.82 74.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 111.874 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.68 -49.45 76.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.974 1.31 . . . . 0.0 110.547 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.83 88.82 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.843 1.257 . . . . 0.0 111.779 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.26 -44.55 96.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.732 1.213 . . . . 0.0 112.385 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.96 -41.76 75.2 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.721 1.608 . . . . 0.0 114.339 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -47.04 -21.82 0.27 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.55 -50.52 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -144.4 134.43 11.81 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 111.446 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -47.83 -50.69 11.2 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.845 3.03 . . . . 0.0 114.757 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.9 -40.21 96.87 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.378 -0.826 . . . . 0.0 112.101 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.02 -39.78 82.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.235 0.925 . . . . 0.0 110.442 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.238 0.926 . . . . 0.0 110.992 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -57.27 -46.09 83.42 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.405 1.082 . . . . 0.0 111.109 174.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.43 -48.99 78.64 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.709 1.204 . . . . 0.0 110.939 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.14 -52.51 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.84 1.256 . . . . 0.0 109.399 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -47.59 -54.22 12.43 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.312 1.845 . . . . 0.0 112.019 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -52.4 -57.5 9.64 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.689 1.196 . . . . 0.0 110.63 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -57.93 -39.41 77.96 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.299 1.039 . . . . 0.0 113.224 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.94 -58.05 9.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.976 1.71 . . . . 0.0 109.342 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.82 -48.86 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.215 1.406 . . . . 0.0 111.731 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.75 -51.4 69.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.665 0.666 . . . . 0.0 112.74 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.8 -46.72 84.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.008 1.323 . . . . 0.0 112.248 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.06 -54.86 42.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.795 1.238 . . . . 0.0 110.551 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -54.38 -51.52 64.54 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.474 1.11 . . . . 0.0 111.008 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.19 -54.86 4.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.733 1.613 . . . . 0.0 113.817 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -68.57 -43.15 77.19 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -54.94 -50.9 67.72 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.625 1.17 . . . . 0.0 111.142 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.83 -54.09 48.74 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 129.662 3.185 . . . . 0.0 110.464 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -53.4 -55.6 23.74 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.121 1.368 . . . . 0.0 111.49 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.23 -50.4 69.55 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.239 1.416 . . . . 0.0 111.42 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -54.41 -54.15 44.55 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.113 1.365 . . . . 0.0 111.228 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.16 -53.96 42.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.601 1.56 . . . . 0.0 111.537 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.86 -45.48 82.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.844 1.258 . . . . 0.0 112.272 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.42 3.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.666 1.187 . . . . 0.0 111.49 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -156.29 111.91 2.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.924 1.69 . . . . 0.0 111.061 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.51 -154.09 21.47 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.574 1.083 . . . . 0.0 112.844 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -144.61 146.71 32.45 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.557 1.943 . . . . 0.0 109.074 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.06 -43.83 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 123.898 0.879 . . . . 0.0 110.532 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -79.45 83.5 5.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.627 1.971 . . . . 0.0 108.809 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.72 -69.87 0.49 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.46 1.504 . . . . 0.0 111.347 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.62 142.97 57.88 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.805 1.642 . . . . 0.0 112.737 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -97.6 -29.24 13.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.643 1.577 . . . . 0.0 114.523 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.6 123.09 83.64 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 119.142 0.883 . . . . 0.0 110.804 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.75 -37.0 22.31 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.238 1.959 . . . . 0.0 110.714 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -58.07 -28.47 64.58 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.159 2.184 . . . . 0.0 113.553 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.32 -44.83 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.283 1.433 . . . . 0.0 110.881 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.77 -48.63 77.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.234 1.414 . . . . 0.0 111.24 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.8 m -58.13 -51.15 70.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.838 1.255 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.7 mmt -57.94 -42.0 83.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.865 1.266 . . . . 0.0 112.162 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -61.88 -41.92 98.45 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.145 1.378 . . . . 0.0 111.704 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -62.67 -46.86 86.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.504 -0.747 . . . . 0.0 110.268 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.57 -47.37 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.797 1.639 . . . . 0.0 110.432 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -52.19 -51.19 59.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.819 2.048 . . . . 0.0 111.815 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -56.97 -48.11 79.15 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.379 1.072 . . . . 0.0 111.234 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -58.42 -50.18 74.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.1 0.56 . . . . 0.0 111.369 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.4 mtp -48.77 -44.9 39.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.532 1.533 . . . . 0.0 115.056 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.9 p -69.3 -38.53 78.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.277 0.944 . . . . 0.0 112.263 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.85 -54.74 14.01 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.321 1.448 . . . . 0.0 111.444 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.94 147.29 53.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.368 1.867 . . . . 0.0 111.302 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -132.54 10.19 4.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.096 1.758 . . . . 0.0 112.042 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.3 -67.46 0.81 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.097 0.959 . . . . 0.0 112.131 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.78 -71.67 1.1 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.817 1.199 . . . . 0.0 113.372 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.99 -54.75 33.43 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.325 1.85 . . . . 0.0 110.921 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.07 53.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.47 1.508 . . . . 0.0 113.996 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -62.19 122.96 16.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.374 1.069 . . . . 0.0 110.932 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -66.59 -27.5 67.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.76 1.224 . . . . 0.0 113.184 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.52 118.22 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.403 1.481 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.95 53.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.76 1.624 . . . . 0.0 111.89 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -53.25 -58.52 6.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.88 1.672 . . . . 0.0 112.569 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.02 -55.87 13.0 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.253 1.821 . . . . 0.0 111.849 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.45 -43.44 64.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.931 0.892 . . . . 0.0 112.479 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.98 -57.3 4.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.767 1.627 . . . . 0.0 113.954 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -51.99 -46.48 64.91 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.258 2.223 . . . . 0.0 113.754 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -56.48 -43.71 79.92 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.389 -0.82 . . . . 0.0 110.773 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -56.21 23.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.963 1.705 . . . . 0.0 112.229 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 pt -53.79 -42.79 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.782 0.719 . . . . 0.0 112.569 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.52 -39.23 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 118.885 -0.578 . . . . 0.0 111.215 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.0 m -53.19 -47.37 68.92 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.046 0.839 . . . . 0.0 110.293 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.87 -63.52 1.18 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.833 0.853 . . . . 0.0 110.165 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -53.93 -41.1 67.35 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.58 -49.1 78.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.946 1.298 . . . . 0.0 111.566 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -76.38 -44.95 34.05 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.272 1.429 . . . . 0.0 114.851 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.8 t -57.29 132.78 54.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.281 1.832 . . . . 0.0 113.914 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -129.78 3.51 4.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.433 2.293 . . . . 0.0 112.236 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -58.46 118.19 5.32 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.969 1.707 . . . . 0.0 109.822 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 3.25 1.87 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -146.25 20.22 1.39 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.492 1.517 . . . . 0.0 114.722 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.29 137.29 94.4 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-N 119.454 1.024 . . . . 0.0 108.607 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -58.23 -14.91 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 124.008 3.139 . . . . 0.0 116.748 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.62 -52.13 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.598 1.09 . . . . 0.0 111.499 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.89 -48.38 70.16 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.955 1.702 . . . . 0.0 112.685 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.06 -63.47 2.94 Favored Pre-proline 0 CA--C 1.546 0.803 0 CA-C-O 116.904 -1.522 . . . . 0.0 112.465 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -57.42 -37.49 97.26 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.308 2.006 . . . . 0.0 113.112 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.53 -45.02 95.96 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.493 -0.754 . . . . 0.0 111.657 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.65 -56.09 25.46 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -149.93 136.4 19.07 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.171 1.388 . . . . 0.0 112.345 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.64 -71.28 0.56 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.277 1.431 . . . . 0.0 110.895 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.3 m -141.05 151.38 43.99 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.407 1.883 . . . . 0.0 110.632 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.1 132.29 47.56 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.805 0.842 . . . . 0.0 111.594 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.76 148.2 45.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.553 1.941 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.529 1.531 . . . . 0.0 112.387 178.738 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.586 0.231 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.07 157.67 43.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.981 1.713 . . . . 0.0 110.927 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -110.84 -53.0 2.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.985 1.714 . . . . 0.0 110.992 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -37.95 -57.87 0.99 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.038 2.135 . . . . 0.0 113.026 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 72.5 m -131.34 64.12 1.59 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.949 1.7 . . . . 0.0 107.991 173.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 136.19 2.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.504 1.922 . . . . 0.0 112.134 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 mt 59.85 67.31 0.88 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.988 1.715 . . . . 0.0 110.201 -172.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.68 -39.16 61.65 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.167 1.387 . . . . 0.0 111.065 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.8 -19.37 20.97 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 127.064 2.269 . . . . 0.0 116.434 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -46.73 -65.34 0.57 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.679 1.592 . . . . 0.0 112.687 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 68.8 m -74.54 -26.16 59.79 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.919 1.287 . . . . 0.0 112.806 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 62.2 mtt -60.33 -33.61 72.65 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.529 1.132 . . . . 0.0 112.632 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.64 -40.0 68.55 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.344 1.458 . . . . 0.0 112.219 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -91.21 -61.79 1.58 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.979 1.711 . . . . 0.0 112.574 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.2 m -89.35 -51.37 5.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.436 1.495 . . . . 0.0 114.962 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.67 -88.11 1.47 Allowed Glycine 0 N--CA 1.471 1.026 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -126.02 115.64 24.06 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 126.085 1.754 . . . . 0.0 107.448 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.39 171.09 16.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.262 2.642 . . . . 0.0 113.627 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -110.66 63.77 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.258 1.423 . . . . 0.0 108.903 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.38 170.78 11.2 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.656 173.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 52.7 p -140.84 169.32 17.84 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.283 1.033 . . . . 0.0 110.58 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p -54.64 -50.32 68.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.209 1.004 . . . . 0.0 109.455 174.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -52.68 -57.84 8.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.759 1.624 . . . . 0.0 111.835 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.04 -52.14 52.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.797 0.839 . . . . 0.0 111.864 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.06 -49.73 76.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.424 1.09 . . . . 0.0 112.157 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -56.4 -46.72 80.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.949 1.3 . . . . 0.0 111.813 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 9.1 t -61.38 -50.54 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.164 1.786 . . . . 0.0 112.213 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -75.88 -34.73 60.0 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.82 74.78 37.61 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.492 1.117 . . . . 0.0 112.142 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.5 138.16 65.94 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.19 3.26 . . . . 0.0 114.515 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.27 127.96 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.513 1.925 . . . . 0.0 108.93 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -57.08 -47.06 81.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.941 1.296 . . . . 0.0 114.211 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.27 165.25 26.29 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.006 1.288 . . . . 0.0 112.503 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -77.59 61.58 2.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.652 1.181 . . . . 0.0 111.924 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -139.57 167.3 22.4 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.48 2.712 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -153.68 177.99 10.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.508 1.523 . . . . 0.0 111.938 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.4 mt 0.43 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 130.231 3.412 . . . . 0.0 116.28 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.12 138.12 26.3 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 129.431 3.093 . . . . 0.0 110.676 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.04 157.25 47.15 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.144 1.378 . . . . 0.0 114.314 -175.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 53.53 -144.41 25.68 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 127.188 2.328 . . . . 0.0 116.472 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.87 -30.75 62.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.82 -31.05 58.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.947 0.794 . . . . 0.0 111.769 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.85 -64.8 0.76 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.9 mt -55.51 -43.42 75.66 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.317 1.447 . . . . 0.0 112.009 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -56.57 -51.22 69.44 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.821 1.248 . . . . 0.0 110.543 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.15 87.14 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.671 1.188 . . . . 0.0 111.65 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.22 -46.42 90.51 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.273 1.029 . . . . 0.0 112.731 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.54 -20.65 66.35 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.35 -22.76 65.23 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.937 1.244 . . . . 0.0 114.067 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 14.2 t -62.19 118.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.386 1.074 . . . . 0.0 109.129 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 123.941 0.896 . . . . 0.0 112.922 178.729 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.536 0.208 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.37 138.52 14.81 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.578 1.551 . . . . 0.0 111.327 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -60.42 -39.31 67.44 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.924 2.416 . . . . 0.0 113.492 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.97 -34.15 74.86 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.92 -1.112 . . . . 0.0 111.26 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.96 -41.73 96.9 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.85 -1.156 . . . . 0.0 109.647 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.1 -44.0 91.91 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.255 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 mptt -53.86 -49.37 68.65 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.739 1.154 . . . . 0.0 110.957 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.73 -42.44 97.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.88 1.272 . . . . 0.0 111.543 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.48 -46.7 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 110.143 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -50.99 -56.46 12.37 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -44.94 94.84 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.941 0.791 . . . . 0.0 111.677 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.487 HE22 HD22 ' B' ' 115' ' ' LEU . 31.8 mm-40 -55.27 -45.51 76.13 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.175 0.898 . . . . 0.0 112.074 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.66 -55.39 34.68 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.266 1.826 . . . . 0.0 109.902 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.5 -51.2 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.415 1.486 . . . . 0.0 112.363 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 28.6 mt -56.29 -47.15 79.23 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.006 0.821 . . . . 0.0 111.688 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.96 -48.83 80.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.08 0.952 . . . . 0.0 112.096 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.2 mt -56.49 -53.33 58.75 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.177 0.991 . . . . 0.0 110.19 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -54.46 -49.96 68.86 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.739 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.25 -47.12 9.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.129 1.372 . . . . 0.0 114.175 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -71.57 -46.4 59.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.562 -0.711 . . . . 0.0 111.465 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -53.18 -41.15 64.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.337 1.855 . . . . 0.0 112.203 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -53.24 -46.51 69.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.187 2.995 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -55.33 -51.21 67.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.103 0.961 . . . . 0.0 110.576 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.67 -52.29 66.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.145 0.978 . . . . 0.0 110.82 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -54.57 -49.48 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.406 1.483 . . . . 0.0 112.109 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.04 -51.38 69.51 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.519 1.928 . . . . 0.0 111.389 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -59.64 -43.71 93.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.779 0.832 . . . . 0.0 111.675 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.44 54.47 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.75 1.22 . . . . 0.0 111.899 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -146.88 112.29 5.56 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.015 1.726 . . . . 0.0 111.728 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.0 140.09 4.26 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.415 1.483 . . . . 0.0 111.627 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.59 -86.04 0.13 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.453 1.101 . . . . 0.0 110.442 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.12 -48.58 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.908 1.283 . . . . 0.0 109.808 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -146.6 156.74 43.44 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.749 2.42 . . . . 0.0 110.035 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.08 -63.4 0.77 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.529 1.532 . . . . 0.0 110.498 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.4 t -82.06 170.97 14.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.089 1.356 . . . . 0.0 114.404 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.7 m -133.38 -30.56 1.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.109 2.563 . . . . 0.0 113.705 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.9 130.26 94.41 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.415 1.086 . . . . 0.0 110.789 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.14 -52.47 0.49 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.067 2.511 . . . . 0.0 112.625 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -75.39 1.91 12.69 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 14.0 t -53.2 -50.49 64.58 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.268 1.027 . . . . 0.0 109.686 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -54.7 -46.38 74.15 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.626 1.57 . . . . 0.0 111.137 174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -54.74 -52.43 62.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.23 1.012 . . . . 0.0 110.459 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.406 ' HG3' ' HB3' ' A' ' 15' ' ' LEU . 35.0 mmt -61.67 -36.91 82.21 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 112.445 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 49.4 mttp -60.56 -40.76 92.8 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.36 1.436 . . . . 0.0 111.424 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -58.61 -49.25 78.17 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.804 0.729 . . . . 0.0 109.805 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.49 -49.0 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.207 1.803 . . . . 0.0 110.403 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.43 -51.59 53.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.046 2.139 . . . . 0.0 112.038 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.26 -44.96 84.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.616 1.166 . . . . 0.0 111.8 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -64.63 -52.28 58.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.638 -0.664 . . . . 0.0 111.397 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.9 mtp -41.97 -51.06 4.52 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.598 1.959 . . . . 0.0 114.747 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -61.61 -46.09 91.32 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.068 0.947 . . . . 0.0 112.744 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -73.2 -32.83 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 113.508 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.4 t -59.02 141.33 54.24 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.806 1.643 . . . . 0.0 112.516 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -131.82 -9.51 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.899 2.079 . . . . 0.0 112.841 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.38 81.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.982 1.313 . . . . 0.0 112.455 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.03 -109.07 2.33 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.022 1.296 . . . . 0.0 112.535 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -58.86 -38.6 79.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.214 1.406 . . . . 0.0 111.916 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.52 -17.4 61.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.752 1.621 . . . . 0.0 114.872 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.63 118.37 8.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.584 1.084 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -71.55 -22.15 61.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.727 1.211 . . . . 0.0 113.364 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.99 117.66 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.085 1.354 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.31 8.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.195 1.798 . . . . 0.0 112.168 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -54.51 -51.47 65.02 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.975 1.71 . . . . 0.0 113.162 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -55.32 -57.34 12.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.334 1.454 . . . . 0.0 111.474 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.66 70.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.45 1.1 . . . . 0.0 112.362 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.4 m -66.19 -57.47 7.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.232 1.413 . . . . 0.0 112.749 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 p -52.21 -45.83 65.4 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.781 2.032 . . . . 0.0 113.545 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -58.27 -43.58 88.0 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.636 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -56.49 20.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.34 1.456 . . . . 0.0 112.963 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -52.58 -45.47 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.048 0.84 . . . . 0.0 112.284 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.97 -38.17 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.301 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.3 m -53.77 -52.87 58.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.057 0.844 . . . . 0.0 110.251 173.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.83 -60.47 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.946 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -52.82 -43.41 65.93 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -44.8 93.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.468 1.107 . . . . 0.0 111.512 176.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -66.11 -43.93 85.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.568 1.147 . . . . 0.0 112.954 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.7 t -55.67 118.84 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.195 2.198 . . . . 0.0 114.72 -173.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.5 p -127.38 11.42 6.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.986 2.514 . . . . 0.0 111.025 175.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -59.53 143.85 49.01 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.473 2.309 . . . . 0.0 111.839 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -51.81 -49.79 62.08 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 111.688 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -147.86 127.14 13.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.611 1.564 . . . . 0.0 111.441 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.426 ' H ' ' HB2' ' A' ' 86' ' ' LEU . 1.7 t -130.19 143.56 49.67 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 128.362 2.665 . . . . 0.0 106.168 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -62.01 -6.83 8.52 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.059 3.172 . . . . 0.0 117.484 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.65 -43.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.921 1.237 . . . . 0.0 111.634 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.8 m -58.54 -56.18 25.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.561 1.544 . . . . 0.0 111.406 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' HB2' ' H ' ' A' ' 82' ' ' CYS . 3.4 tm? -37.92 -61.39 0.8 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.371 1.869 . . . . 0.0 115.05 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.0 -38.39 94.77 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.664 2.243 . . . . 0.0 113.798 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.3 mt -73.34 -52.72 12.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.77 1.228 . . . . 0.0 111.605 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -53.58 -50.52 65.43 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 130.711 3.604 . . . . 0.0 111.909 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -128.42 81.98 2.06 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.881 1.672 . . . . 0.0 109.981 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.54 -54.35 6.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.482 1.113 . . . . 0.0 111.794 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 m -61.93 144.99 54.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.994 1.718 . . . . 0.0 113.097 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.11 143.03 57.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.167 0.987 . . . . 0.0 111.684 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -135.37 122.27 21.19 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.42 1.888 . . . . 0.0 109.935 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.522 1.529 . . . . 0.0 111.672 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.578 0.228 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -146.89 152.12 38.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.951 1.701 . . . . 0.0 111.16 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -147.31 -47.0 0.17 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.481 1.912 . . . . 0.0 111.68 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.32 9.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.753 0.821 . . . . 0.0 111.77 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 81.5 m -79.99 12.36 2.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.437 1.495 . . . . 0.0 114.863 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -26.04 -69.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 129.007 2.923 . . . . 0.0 115.185 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.26 71.08 1.36 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.062 1.745 . . . . 0.0 108.963 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.85 -40.3 92.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.091 0.956 . . . . 0.0 111.96 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -39.75 -41.82 1.92 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 127.202 2.334 . . . . 0.0 114.292 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -39.33 -56.92 1.47 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.054 2.142 . . . . 0.0 113.352 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 m -99.98 -26.37 14.01 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 61.5 mtp -63.29 -29.66 70.94 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.011 0.823 . . . . 0.0 112.428 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.08 -33.8 58.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.046 1.338 . . . . 0.0 112.667 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.67 90.24 1.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.161 1.384 . . . . 0.0 111.557 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.2 m 55.59 19.55 3.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.595 2.358 . . . . 0.0 116.226 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.28 -67.16 3.52 Favored Glycine 0 CA--C 1.532 1.12 0 O-C-N 120.732 -1.23 . . . . 0.0 112.139 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 12' ' ' GLN . 77.7 mt -137.04 138.01 24.51 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.983 2.113 . . . . 0.0 109.667 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -82.01 178.84 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.143 2.562 . . . . 0.0 113.022 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -119.19 60.65 0.82 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.715 1.606 . . . . 0.0 108.863 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.17 171.22 12.42 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.054 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.7 p -141.48 169.83 16.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.927 1.291 . . . . 0.0 110.246 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -54.4 -51.51 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.975 0.91 . . . . 0.0 109.586 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -51.91 -58.78 5.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.248 1.419 . . . . 0.0 111.805 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.9 -51.33 61.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.156 0.982 . . . . 0.0 111.896 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 74.6 m -61.8 -48.92 78.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.202 1.001 . . . . 0.0 112.251 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.89 -45.55 82.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.863 1.265 . . . . 0.0 111.379 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.976 1.71 . . . . 0.0 111.811 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -73.19 -38.39 66.16 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.0 76.77 57.86 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.993 1.317 . . . . 0.0 111.715 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.25 142.25 68.46 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 124.152 3.235 . . . . 0.0 114.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 20.5 mt -84.31 147.04 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 125.798 1.639 . . . . 0.0 109.655 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -54.91 -54.8 37.92 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.95 -24.33 0.41 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 117.684 1.834 . . . . 0.0 117.684 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -54.24 -43.69 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.243 1.521 . . . . 0.0 113.078 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -143.5 165.3 27.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.147 2.179 . . . . 0.0 110.599 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -120.06 -34.96 3.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.337 1.455 . . . . 0.0 112.477 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.3 mt -134.73 96.57 3.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.19 1.396 . . . . 0.0 110.07 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 120.69 16.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.593 2.357 . . . . 0.0 106.624 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -138.08 161.86 35.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.626 1.171 . . . . 0.0 114.046 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 62.72 -143.43 48.66 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.589 2.042 . . . . 0.0 115.34 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.51 -35.11 52.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.356 1.062 . . . . 0.0 113.292 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -54.23 -34.29 60.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 0.0 112.129 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.44 -59.98 4.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.293 1.037 . . . . 0.0 109.12 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.47 -44.25 80.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.773 1.229 . . . . 0.0 111.498 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -57.01 -49.2 76.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.65 1.18 . . . . 0.0 110.852 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.3 -50.87 72.34 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.663 1.185 . . . . 0.0 110.924 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.69 -47.37 76.9 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.613 1.097 . . . . 0.0 112.586 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.92 -27.87 69.12 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.397 1.479 . . . . 0.0 114.735 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -58.56 -15.14 10.07 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.41 -51.57 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.809 1.244 . . . . 0.0 110.93 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.4 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.967 2.907 . . . . 0.0 115.441 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.425 0.155 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.16 134.48 13.64 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.389 1.475 . . . . 0.0 111.713 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.4 -49.49 14.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.929 3.086 . . . . 0.0 114.657 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.45 -40.8 96.41 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.091 -1.006 . . . . 0.0 112.262 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.97 -37.04 75.88 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.926 0.784 . . . . 0.0 110.568 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -64.05 -45.23 89.73 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.75 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -54.27 -49.36 69.74 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.631 1.105 . . . . 0.0 110.944 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.18 -46.92 84.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.19 1.396 . . . . 0.0 111.102 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.76 -48.66 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.935 1.294 . . . . 0.0 110.752 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -51.04 -55.12 19.07 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.903 1.229 . . . . 0.0 109.927 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -56.44 14.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.893 1.277 . . . . 0.0 111.468 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -55.1 -43.05 73.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.377 1.071 . . . . 0.0 112.588 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -57.09 -57.0 14.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.821 1.649 . . . . 0.0 109.542 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.97 -48.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.331 1.452 . . . . 0.0 112.368 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.89 -47.09 86.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.5 1.045 . . . . 0.0 111.618 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.41 -43.59 92.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.377 1.071 . . . . 0.0 111.935 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.55 -49.84 75.92 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.793 0.837 . . . . 0.0 110.185 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -54.54 -49.62 69.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.169 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.92 -52.05 5.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.775 1.63 . . . . 0.0 114.243 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -71.99 -42.87 65.96 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.041 -1.037 . . . . 0.0 111.915 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.18 -38.99 71.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.471 1.108 . . . . 0.0 111.979 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.8 t -56.84 -55.98 27.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 129.474 3.11 . . . . 0.0 109.707 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.82 -44.76 86.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.132 1.373 . . . . 0.0 111.294 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -53.28 60.05 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.072 1.749 . . . . 0.0 111.083 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -51.01 -54.11 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.869 2.068 . . . . 0.0 111.112 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -55.03 -54.32 44.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.589 1.556 . . . . 0.0 112.121 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.27 -45.86 92.73 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.525 1.13 . . . . 0.0 112.815 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.01 -52.21 66.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.513 1.525 . . . . 0.0 112.426 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -153.13 -55.79 0.12 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.723 1.209 . . . . 0.0 112.49 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.12 167.95 17.89 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.676 2.084 . . . . 0.0 110.681 -173.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.8 154.85 38.05 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.699 1.6 . . . . 0.0 109.623 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -53.01 -43.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.698 1.199 . . . . 0.0 110.221 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -118.8 74.94 1.0 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.965 2.106 . . . . 0.0 108.286 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.08 2.88 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.576 1.15 . . . . 0.0 110.113 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -81.62 167.91 18.72 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.313 1.845 . . . . 0.0 110.933 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.7 m -133.97 -22.97 1.79 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mp -134.93 139.91 33.54 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 120.144 1.338 . . . . 0.0 112.068 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -63.35 -28.68 71.92 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.936 2.424 . . . . 0.0 113.143 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -68.01 -17.25 64.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.958 2.103 . . . . 0.0 113.98 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.7 t -52.57 -43.06 65.02 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.291 1.836 . . . . 0.0 111.602 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -44.77 -51.24 9.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.372 1.869 . . . . 0.0 112.933 176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -59.42 -51.82 68.25 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.551 0.74 . . . . 0.0 110.198 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -58.79 -41.36 86.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.825 -0.607 . . . . 0.0 112.626 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -62.62 -45.91 90.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.387 1.475 . . . . 0.0 111.266 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.73 -48.62 80.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.243 0.617 . . . . 0.0 110.463 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.21 -50.55 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.626 1.571 . . . . 0.0 110.677 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.46 -53.24 39.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.383 2.273 . . . . 0.0 111.643 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -55.11 -45.22 75.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.061 0.944 . . . . 0.0 111.674 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -63.11 -50.83 68.94 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.657 -0.652 . . . . 0.0 110.828 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -48.04 11.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.343 2.657 . . . . 0.0 114.947 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 p -62.61 -45.88 90.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.469 -0.769 . . . . 0.0 112.437 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -69.62 -49.64 52.0 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.472 1.509 . . . . 0.0 112.344 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.3 145.91 54.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.37 1.468 . . . . 0.0 111.107 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -131.75 5.47 4.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.505 1.922 . . . . 0.0 112.383 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.09 -58.0 3.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.987 1.315 . . . . 0.0 112.775 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 -89.09 0.21 Allowed Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.775 1.178 . . . . 0.0 113.436 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -58.18 -47.99 81.69 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.893 1.277 . . . . 0.0 111.283 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.29 -13.8 59.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.387 1.475 . . . . 0.0 114.462 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.1 133.09 49.99 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.174 0.897 . . . . 0.0 111.367 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.03 -32.7 74.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.987 1.315 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.97 114.99 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.4 1.48 . . . . 0.0 110.672 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.15 60.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.563 1.545 . . . . 0.0 112.091 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -60.54 -38.69 85.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.257 1.423 . . . . 0.0 113.693 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.76 -57.23 13.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.423 1.465 . . . . 0.0 109.987 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.34 -44.01 61.91 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.829 1.251 . . . . 0.0 112.436 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -69.16 -58.79 3.59 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.543 1.537 . . . . 0.0 113.566 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 p -51.4 -41.81 60.99 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 114.425 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -61.42 -37.81 84.84 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.939 -1.101 . . . . 0.0 111.988 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -55.2 13.78 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.347 1.859 . . . . 0.0 111.889 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.16 -44.07 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.729 0.695 . . . . 0.0 112.794 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -69.46 -40.18 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.438 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -53.64 -50.66 65.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.961 0.801 . . . . 0.0 109.89 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.05 -63.97 0.98 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.713 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -52.32 -44.92 65.37 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.103 1.319 . . . . 0.0 114.153 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -58.96 -46.24 88.55 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.597 1.159 . . . . 0.0 112.071 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -73.91 -40.14 63.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.871 1.268 . . . . 0.0 113.497 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.76 122.71 13.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 113.155 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -134.23 24.72 3.85 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.059 2.544 . . . . 0.0 110.195 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -65.09 149.53 49.72 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 128.459 2.704 . . . . 0.0 112.707 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -51.55 -50.67 59.6 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.938 1.695 . . . . 0.0 111.176 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.91 127.1 9.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.952 1.701 . . . . 0.0 110.782 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -130.73 144.04 51.83 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.866 2.866 . . . . 0.0 105.795 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -63.29 5.71 0.29 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.533 3.489 . . . . 0.0 117.517 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.84 -51.11 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 119.885 1.221 . . . . 0.0 109.693 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.3 m -52.4 -50.09 63.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.384 2.273 . . . . 0.0 112.136 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.33 -64.75 1.22 Allowed Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 116.886 -1.53 . . . . 0.0 112.491 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -58.64 -40.85 69.75 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.236 1.957 . . . . 0.0 113.305 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -57.01 -46.12 82.55 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.186 0.903 . . . . 0.0 111.699 176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -64.69 -54.33 33.28 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.882 1.673 . . . . 0.0 111.173 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -145.84 118.44 8.57 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.077 1.351 . . . . 0.0 113.016 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.61 -57.71 0.99 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.711 2.005 . . . . 0.0 108.658 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -74.6 146.86 42.15 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.38 1.472 . . . . 0.0 109.99 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.16 134.54 56.15 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.48 -0.762 . . . . 0.0 112.091 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -132.28 108.48 9.25 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.201 1.8 . . . . 0.0 109.791 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.894 1.678 . . . . 0.0 112.287 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.62 0.248 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.82 151.66 38.28 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.927 1.691 . . . . 0.0 111.022 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 68.0 tp -165.8 99.0 0.67 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.045 2.138 . . . . 0.0 109.428 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.02 -74.42 0.13 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.773 1.629 . . . . 0.0 107.482 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 62.7 m -70.13 -54.53 12.55 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 179.67 -67.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.728 1 C-N-CA 131.928 4.091 . . . . 0.0 106.321 176.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 69.0 mt -147.07 103.97 3.64 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.443 2.697 . . . . 0.0 109.266 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.93 114.96 4.43 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 144.54 -42.85 1.0 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.101 1.81 . . . . 0.0 110.908 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.63 -68.28 0.21 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.17 2.188 . . . . 0.0 112.832 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 75.3 m -81.07 -21.15 40.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.026 1.33 . . . . 0.0 112.855 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 55.7 mtp -59.87 -36.74 77.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.09 0.956 . . . . 0.0 111.224 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.39 -37.03 67.06 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.359 1.464 . . . . 0.0 113.365 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -66.63 -51.32 57.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.506 1.522 . . . . 0.0 114.519 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.9 m -122.94 -19.17 6.21 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -173.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.16 -78.4 1.58 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.154 1.359 . . . . 0.0 110.777 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 24.6 mt -138.39 120.58 10.64 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 127.33 2.252 . . . . 0.0 108.154 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -79.58 175.03 11.08 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.745 2.297 . . . . 0.0 113.09 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -122.26 68.2 0.94 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.151 1.78 . . . . 0.0 107.952 172.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.0 175.83 4.84 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.348 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -140.57 168.38 19.94 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 109.614 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.1 p -55.34 -47.71 75.31 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.09 -59.22 4.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.234 1.814 . . . . 0.0 111.585 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.31 -52.46 52.93 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.756 0.822 . . . . 0.0 111.718 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.66 -50.42 72.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.822 1.249 . . . . 0.0 112.427 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -53.26 -48.43 68.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.387 1.475 . . . . 0.0 111.703 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.39 -50.97 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.341 1.856 . . . . 0.0 112.602 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -76.25 -41.05 50.32 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.98 81.59 61.88 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 125.954 1.702 . . . . 0.0 111.293 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.01 167.62 5.42 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.738 3.625 . . . . 0.0 115.414 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.65 128.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.448 1.899 . . . . 0.0 108.528 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.86 -48.72 75.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.935 0.894 . . . . 0.0 113.102 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -90.44 -168.18 42.31 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.514 1.53 . . . . 0.0 114.565 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -69.39 -12.81 61.97 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -65.0 163.85 13.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.439 1.018 . . . . 0.0 111.809 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -139.59 -53.59 0.55 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.806 1.642 . . . . 0.0 111.904 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 63.0 mt -142.02 117.17 10.05 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.742 2.017 . . . . 0.0 109.083 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 142.55 56.85 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.664 1.985 . . . . 0.0 110.619 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -128.85 149.72 50.64 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.13 -132.83 4.27 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 127.49 2.471 . . . . 0.0 117.556 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.67 -37.05 58.1 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 114.376 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.73 -31.98 59.06 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 111.929 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.99 -65.35 0.61 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 108.997 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.98 -44.53 70.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.592 1.157 . . . . 0.0 111.48 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -55.3 -51.07 67.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.501 1.121 . . . . 0.0 111.199 175.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.71 96.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.207 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.29 -45.09 93.03 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.095 0.958 . . . . 0.0 112.42 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.17 -35.67 71.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.689 1.596 . . . . 0.0 115.229 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.4 -18.78 0.69 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -61.15 -37.93 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.211 1.404 . . . . 0.0 112.027 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.58 140.78 15.54 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.985 1.314 . . . . 0.0 111.887 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -57.29 -33.62 96.43 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.365 2.71 . . . . 0.0 113.92 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -64.96 -47.89 76.01 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.389 0.995 . . . . 0.0 110.247 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.24 -40.23 93.27 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.808 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -61.67 -48.7 79.64 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.683 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -61.19 -37.9 84.59 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.221 1.373 . . . . 0.0 111.931 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.8 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.104 0.962 . . . . 0.0 110.329 173.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -58.02 -49.13 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.605 1.562 . . . . 0.0 110.363 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -51.39 -54.11 29.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.671 1.188 . . . . 0.0 110.799 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -54.45 -57.55 10.9 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.53 1.532 . . . . 0.0 110.55 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.5 -47.23 57.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.945 1.698 . . . . 0.0 112.886 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.52 -55.77 28.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.822 1.649 . . . . 0.0 109.47 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.06 -48.58 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.33 1.452 . . . . 0.0 112.084 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -56.04 -48.5 75.89 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.35 0.977 . . . . 0.0 111.734 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.9 -47.32 83.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.812 1.245 . . . . 0.0 111.796 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.45 -50.44 73.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.581 1.153 . . . . 0.0 110.509 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -54.58 -53.0 60.33 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.744 0.818 . . . . 0.0 110.548 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.57 -49.53 13.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 113.56 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -63.81 -48.0 78.61 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.647 -0.692 . . . . 0.0 112.055 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -56.59 -45.88 81.15 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 119.407 1.003 . . . . 0.0 111.532 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 t -55.98 -53.24 59.33 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.711 2.005 . . . . 0.0 110.327 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -56.86 -53.82 53.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.144 1.378 . . . . 0.0 111.418 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -51.23 -55.2 19.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.065 2.146 . . . . 0.0 110.893 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -54.1 -56.88 13.86 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.226 2.21 . . . . 0.0 110.948 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -52.27 -53.05 48.79 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.467 1.507 . . . . 0.0 111.918 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -59.44 -47.8 84.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.581 1.152 . . . . 0.0 112.52 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -69.59 0.31 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.995 1.318 . . . . 0.0 112.315 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -170.26 107.8 0.34 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.98 2.512 . . . . 0.0 109.119 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.76 69.44 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 124.848 1.213 . . . . 0.0 112.373 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.42 -61.1 2.3 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.013 1.325 . . . . 0.0 110.514 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -85.19 110.91 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -71.33 102.47 2.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.392 1.077 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.43 -29.66 66.31 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.848 1.259 . . . . 0.0 112.86 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -53.67 119.93 5.56 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.381 1.872 . . . . 0.0 113.338 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 m -135.33 28.93 3.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.568 1.947 . . . . 0.0 111.243 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -133.55 105.07 11.97 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.424 1.89 . . . . 0.0 110.978 -175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -49.68 -43.36 40.27 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.657 2.905 . . . . 0.0 114.28 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -68.79 -9.59 51.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.838 2.055 . . . . 0.0 115.532 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.43 -50.23 63.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.277 1.431 . . . . 0.0 111.365 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -52.58 -44.4 65.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.843 1.257 . . . . 0.0 111.89 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -60.76 -49.5 77.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.28 1.032 . . . . 0.0 109.959 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.8 mmt -59.48 -38.58 81.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.342 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -60.68 -42.96 98.17 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.266 1.394 . . . . 0.0 111.415 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -60.18 -48.81 80.18 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.563 0.745 . . . . 0.0 109.925 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.31 -55.72 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.359 1.463 . . . . 0.0 110.041 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -49.42 -55.82 11.79 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 128.493 2.717 . . . . 0.0 112.261 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -54.92 -45.47 74.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.959 1.304 . . . . 0.0 111.853 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.22 -48.48 70.42 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.712 -0.617 . . . . 0.0 110.58 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.68 -47.9 7.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.077 2.551 . . . . 0.0 114.871 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -63.17 -47.56 82.14 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.158 0.983 . . . . 0.0 112.407 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.89 -45.39 67.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.577 1.551 . . . . 0.0 112.374 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.72 141.75 57.66 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.302 1.841 . . . . 0.0 111.212 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -126.21 -3.92 6.83 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.329 1.452 . . . . 0.0 112.863 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.6 -55.86 6.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 112.164 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -88.12 0.12 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.016 1.293 . . . . 0.0 112.66 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -56.34 -48.53 76.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.832 1.653 . . . . 0.0 111.735 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.52 -13.01 58.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.16 134.01 51.86 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.924 1.238 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.3 -36.06 82.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.237 1.415 . . . . 0.0 113.266 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.04 124.2 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.492 1.517 . . . . 0.0 110.506 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.55 -64.3 0.87 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.496 1.518 . . . . 0.0 112.926 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.975 1.31 . . . . 0.0 114.411 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.78 -47.56 70.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.288 1.435 . . . . 0.0 111.759 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.24 -54.08 42.91 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.804 1.242 . . . . 0.0 111.494 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m -58.64 -54.09 51.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.279 1.832 . . . . 0.0 114.157 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p -52.69 -34.2 50.97 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.512 1.925 . . . . 0.0 114.026 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -67.62 -52.82 33.79 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.857 0.753 . . . . 0.0 109.794 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -56.09 10.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.695 1.998 . . . . 0.0 112.706 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.51 -45.07 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.7 mm -73.99 -38.54 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.66 0.784 . . . . 0.0 111.615 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -53.45 -48.52 68.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.877 1.271 . . . . 0.0 109.241 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -58.74 -64.99 0.73 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.602 1.161 . . . . 0.0 109.891 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -47.82 -47.05 31.34 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -59.51 -47.88 83.8 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.143 0.977 . . . . 0.0 112.224 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -71.36 -34.73 70.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.325 . . . . 0.0 113.685 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.1 t -63.31 121.56 14.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.14 1.776 . . . . 0.0 113.538 -175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -133.61 29.92 3.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.777 2.831 . . . . 0.0 110.208 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -55.82 155.41 6.04 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 128.338 2.655 . . . . 0.0 114.072 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -59.6 -50.84 72.33 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 169.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -154.75 128.13 8.46 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.962 2.105 . . . . 0.0 111.197 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -129.17 142.05 43.87 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.152 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.92 -13.49 27.42 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.411 2.741 . . . . 0.0 116.938 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.22 -51.62 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.473 1.033 . . . . 0.0 110.505 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 82' ' ' CYS . 5.1 m -52.01 -54.05 34.55 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.178 2.191 . . . . 0.0 113.364 -178.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.65 -61.2 6.64 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-O 117.271 -1.347 . . . . 0.0 111.851 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.23 -43.82 52.41 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.152 1.901 . . . . 0.0 113.442 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.53 -51.59 69.22 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.163 0.892 . . . . 0.0 111.601 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -57.8 -48.64 79.14 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.625 1.57 . . . . 0.0 110.994 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.26 -48.52 73.88 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 111.628 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.6 79.63 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.909 0.884 . . . . 0.0 111.553 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 m -59.46 -45.92 90.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.933 1.693 . . . . 0.0 113.203 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.61 113.94 5.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.024 1.73 . . . . 0.0 112.254 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -142.72 156.09 44.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.729 1.612 . . . . 0.0 112.196 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 128.619 2.768 . . . . 0.0 110.811 177.707 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.306 0.098 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.15 141.24 58.84 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.853 0.861 . . . . 0.0 111.308 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 33.8 tp -72.16 -39.07 68.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.15 -58.96 3.89 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.745 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 56.7 m -80.02 37.78 0.38 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.548 1.539 . . . . 0.0 112.797 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -53.62 -46.93 70.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.09 1.356 . . . . 0.0 111.619 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.9 mt -147.07 121.55 9.7 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.794 2.837 . . . . 0.0 107.349 174.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 12.9 mt -120.63 -5.9 9.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.505 1.122 . . . . 0.0 112.053 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.18 -3.55 85.41 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.124 1.345 . . . . 0.0 112.947 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -31.56 -52.02 0.22 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.535 3.134 . . . . 0.0 114.294 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 14.3 m -125.98 -1.04 7.2 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.716 1.206 . . . . 0.0 113.559 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 26.4 mmt -61.18 -36.6 80.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.319 1.447 . . . . 0.0 111.433 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.29 -41.64 76.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.653 1.181 . . . . 0.0 111.395 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.51 -56.33 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.748 1.619 . . . . 0.0 111.756 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -159.4 -50.72 0.06 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.611 1.564 . . . . 0.0 112.585 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.3 -93.71 0.51 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 126.597 2.046 . . . . 0.0 111.045 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.05 123.52 83.44 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.52 0.728 . . . . 0.0 112.231 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.01 -167.54 0.43 Allowed 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.201 3.267 . . . . 0.0 112.145 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.05 62.46 1.08 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.824 1.649 . . . . 0.0 108.69 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.91 167.93 19.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.522 175.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 73.5 p -138.95 170.47 15.93 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.49 1.516 . . . . 0.0 109.516 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.2 p -57.62 -47.07 83.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.878 -0.514 . . . . 0.0 109.894 175.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.01 -56.73 12.5 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.088 1.355 . . . . 0.0 111.894 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.21 -49.31 69.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.811 0.844 . . . . 0.0 111.705 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 78.1 m -61.66 -49.47 76.39 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.368 1.067 . . . . 0.0 112.094 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.86 -49.92 69.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.208 1.403 . . . . 0.0 111.256 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.68 -50.4 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.156 1.783 . . . . 0.0 112.174 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -73.82 -39.88 63.76 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.01 79.14 33.38 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.446 1.498 . . . . 0.0 111.49 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.75 141.48 79.0 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.629 2.886 . . . . 0.0 113.965 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.26 141.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.991 1.316 . . . . 0.0 107.75 173.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -57.57 -53.29 59.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.067 0.849 . . . . 0.0 112.679 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.28 -166.65 38.56 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.809 1.195 . . . . 0.0 111.869 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 33.8 m -56.02 129.15 38.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.455 -1.027 . . . . 0.0 110.813 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -57.35 118.06 4.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.49 0.716 . . . . 0.0 111.159 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -152.2 128.94 10.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.531 1.532 . . . . 0.0 109.744 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.1 mt -81.83 116.64 21.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.3 0.64 . . . . 0.0 110.578 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 136.32 54.34 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.095 2.558 . . . . 0.0 109.762 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -126.81 161.99 26.93 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 42.82 -136.81 3.73 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 128.007 2.718 . . . . 0.0 117.601 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.45 -36.94 55.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.902 1.281 . . . . 0.0 113.848 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.98 -30.77 62.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.732 0.813 . . . . 0.0 112.249 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.98 -60.58 3.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.56 -44.92 77.28 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.983 1.313 . . . . 0.0 111.552 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -57.12 -49.47 75.79 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.111 0.964 . . . . 0.0 111.092 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.33 85.8 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.498 1.119 . . . . 0.0 111.243 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 mt -59.97 -48.03 83.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.339 1.055 . . . . 0.0 112.435 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.03 -20.04 64.95 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -60.9 -24.8 66.27 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 9.6 t -62.94 122.27 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.422 -0.799 . . . . 0.0 112.747 179.419 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.651 0.262 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.2 134.64 10.85 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.891 1.676 . . . . 0.0 111.377 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -58.18 -36.12 98.12 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.39 2.727 . . . . 0.0 113.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.39 -56.84 13.04 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.692 1.133 . . . . 0.0 110.109 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -53.61 -41.78 67.0 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.386 174.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.33 -55.19 36.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.644 1.111 . . . . 0.0 111.347 174.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -61.06 -34.52 75.03 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 121.013 1.733 . . . . 0.0 113.538 177.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.51 -43.88 98.07 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.054 0.942 . . . . 0.0 110.338 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.0 -49.36 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.202 1.401 . . . . 0.0 109.535 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' ' 84' ' ' VAL . 56.6 mt-30 -50.24 -49.91 51.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.457 1.026 . . . . 0.0 110.639 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -56.29 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.992 1.317 . . . . 0.0 110.993 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -53.14 -43.35 66.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.333 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -57.67 10.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.415 1.486 . . . . 0.0 110.746 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.37 -47.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.033 0.933 . . . . 0.0 111.325 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.47 -47.53 79.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.305 0.642 . . . . 0.0 112.048 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 tp -62.07 -49.07 77.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.105 1.362 . . . . 0.0 112.489 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.61 -51.5 65.14 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.47 0.708 . . . . 0.0 110.187 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -58.1 -46.28 85.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.122 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.22 13.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.715 1.606 . . . . 0.0 113.684 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -71.17 -51.14 26.5 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.479 -0.763 . . . . 0.0 110.477 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -51.21 -45.3 61.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.589 1.155 . . . . 0.0 113.013 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.5 t -45.8 -49.32 15.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 129.016 2.926 . . . . 0.0 112.178 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -57.08 -49.85 74.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 111.038 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -64.87 -43.52 92.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.084 0.953 . . . . 0.0 111.823 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -57.12 -47.74 80.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.011 2.124 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.97 -50.14 64.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.973 1.309 . . . . 0.0 110.704 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -62.12 -42.77 99.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.02 0.928 . . . . 0.0 112.006 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.83 -60.74 3.06 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.147 1.379 . . . . 0.0 112.803 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -153.27 131.34 11.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.455 1.502 . . . . 0.0 112.926 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -161.5 136.3 4.35 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.735 2.112 . . . . 0.0 109.782 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -137.35 -101.5 0.19 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.813 0.845 . . . . 0.0 110.749 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.79 -41.21 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.54 1.136 . . . . 0.0 109.876 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -142.72 164.1 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.49 2.316 . . . . 0.0 110.194 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.1 -65.61 0.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.342 1.857 . . . . 0.0 109.206 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.89 153.37 30.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.069 1.747 . . . . 0.0 112.044 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.3 m -132.33 -13.25 3.07 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.043 1.737 . . . . 0.0 113.754 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.16 123.47 89.41 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.556 1.142 . . . . 0.0 109.884 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.78 -51.87 0.61 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.123 1.882 . . . . 0.0 111.521 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -69.92 -9.51 55.25 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.418 1.887 . . . . 0.0 115.996 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.46 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 10.3 t -57.09 -47.01 82.08 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.062 1.345 . . . . 0.0 109.544 172.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -44.79 79.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.078 1.751 . . . . 0.0 111.517 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.6 m -58.58 -50.36 74.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.848 0.859 . . . . 0.0 110.064 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.3 mmt -57.76 -37.49 73.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.34 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 59.9 mttp -60.98 -43.77 98.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.804 1.638 . . . . 0.0 111.873 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -60.23 -46.58 89.3 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.512 0.725 . . . . 0.0 110.222 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.64 -52.75 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.773 1.629 . . . . 0.0 110.284 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.33 -51.43 34.42 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 128.622 2.769 . . . . 0.0 111.838 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -53.57 -54.84 31.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.38 -49.36 74.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.879 0.471 . . . . 0.0 110.336 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -48.63 15.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.463 1.905 . . . . 0.0 113.63 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -41.21 94.46 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -68.48 -39.86 81.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.909 0.884 . . . . 0.0 112.276 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.9 t -60.18 139.62 57.43 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.237 1.815 . . . . 0.0 111.466 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -131.41 11.15 4.9 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.235 1.814 . . . . 0.0 111.985 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.03 161.64 15.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.388 1.075 . . . . 0.0 111.242 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.11 -117.18 2.8 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.77 -18.53 62.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.843 1.257 . . . . 0.0 113.053 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.09 73.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.794 2.038 . . . . 0.0 116.109 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.2 t -61.5 115.03 3.58 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.877 0.762 . . . . 0.0 110.404 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.45 -22.94 63.61 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.76 1.224 . . . . 0.0 113.7 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.97 114.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.903 1.281 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.5 -59.19 3.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.891 1.677 . . . . 0.0 112.103 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -54.34 -45.34 72.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.102 1.361 . . . . 0.0 113.174 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.11 -56.81 17.17 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.704 1.138 . . . . 0.0 110.705 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.44 -52.12 55.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.926 1.29 . . . . 0.0 112.73 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 p -66.0 -52.35 50.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.684 0.793 . . . . 0.0 112.991 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -53.22 -43.88 67.6 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.802 1.241 . . . . 0.0 113.472 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -58.19 -47.07 84.58 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.995 -1.065 . . . . 0.0 110.567 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -55.01 37.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.442 1.497 . . . . 0.0 113.085 177.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.5 pt -53.5 -45.94 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.592 1.087 . . . . 0.0 112.72 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.1 mm -66.73 -40.97 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.263 0.483 . . . . 0.0 111.031 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -52.81 -50.08 64.36 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.734 0.814 . . . . 0.0 110.369 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -59.65 -61.53 2.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 110.609 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -52.76 -42.32 64.86 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.76 -44.84 95.13 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.728 1.211 . . . . 0.0 112.171 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -74.11 -48.52 29.04 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.233 1.413 . . . . 0.0 113.57 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.23 122.19 15.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.612 1.565 . . . . 0.0 113.099 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.1 p -134.74 21.22 3.57 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.769 2.028 . . . . 0.0 111.119 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -60.19 150.99 28.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.706 2.002 . . . . 0.0 112.858 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -56.35 -32.35 64.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.395 1.078 . . . . 0.0 112.145 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.91 134.47 15.4 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.538 1.535 . . . . 0.0 112.136 172.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.45 142.67 16.55 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 128.118 2.567 . . . . 0.0 104.461 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.86 0.48 1.54 Allowed 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.822 3.015 . . . . 0.0 117.164 -174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -138.4 -49.63 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 119.927 1.239 . . . . 0.0 110.403 177.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.6 m -52.45 -52.93 51.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.483 1.913 . . . . 0.0 112.055 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.9 -62.34 3.53 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 116.735 -1.603 . . . . 0.0 113.506 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -57.04 -33.78 96.37 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.349 2.032 . . . . 0.0 114.075 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.05 -46.68 64.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.503 1.121 . . . . 0.0 111.578 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -60.25 -55.24 36.17 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.293 1.837 . . . . 0.0 110.893 176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -137.6 102.29 4.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.91 2.084 . . . . 0.0 110.825 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.66 84.69 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.593 0.757 . . . . 0.0 112.058 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.6 m -77.29 64.42 2.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.926 1.69 . . . . 0.0 112.206 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.19 -32.13 73.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.827 1.651 . . . . 0.0 110.69 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -125.85 161.33 27.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.109 2.563 . . . . 0.0 110.698 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.632 1.973 . . . . 0.0 111.655 -179.603 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.677 0.275 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -147.19 150.38 34.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.145 1.778 . . . . 0.0 110.727 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.53 -91.68 0.09 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.152 1.781 . . . . 0.0 106.896 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 25.33 65.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 128.134 2.574 . . . . 0.0 113.797 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 59.0 m 54.91 65.95 1.37 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.412 1.885 . . . . 0.0 111.89 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.14 136.6 1.53 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.456 1.903 . . . . 0.0 113.915 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 52.1 mt 53.7 71.7 0.49 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.441 1.897 . . . . 0.0 112.522 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.84 -31.63 71.05 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.779 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -37.24 -40.27 0.57 Allowed Glycine 0 CA--C 1.533 1.182 0 C-N-CA 128.475 2.94 . . . . 0.0 113.539 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -41.66 -53.4 3.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.282 2.233 . . . . 0.0 112.629 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -91.56 -34.74 14.63 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.698 1.999 . . . . 0.0 112.784 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 94.5 mtp -58.31 -37.15 74.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.766 0.827 . . . . 0.0 111.351 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.68 -44.15 93.74 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.586 1.555 . . . . 0.0 112.149 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.01 -50.64 54.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.501 1.52 . . . . 0.0 114.272 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -123.63 -11.73 7.74 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.54 -100.93 0.93 Allowed Glycine 0 N--CA 1.47 0.96 0 CA-C-N 120.23 1.377 . . . . 0.0 110.112 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -131.28 130.61 22.66 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 108.112 171.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -82.15 -173.02 1.6 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.512 2.808 . . . . 0.0 111.861 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -122.85 60.12 1.04 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.647 1.579 . . . . 0.0 108.284 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.01 156.63 35.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.044 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 72.9 p -128.2 170.45 12.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.304 1.042 . . . . 0.0 110.76 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -55.67 -49.89 71.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 109.254 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -52.34 -56.5 14.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.961 1.304 . . . . 0.0 112.29 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -54.46 -49.55 69.79 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.374 0.67 . . . . 0.0 111.718 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.4 m -62.84 -46.9 85.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.337 1.055 . . . . 0.0 112.2 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -55.13 -49.35 72.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.161 1.384 . . . . 0.0 111.295 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.85 -51.06 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.296 1.839 . . . . 0.0 112.298 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -76.4 -33.8 58.85 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -142.19 77.71 17.69 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 125.225 1.41 . . . . 0.0 112.183 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.43 131.59 45.56 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.924 3.083 . . . . 0.0 113.972 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 17.4 mt -63.13 129.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.326 1.05 . . . . 0.0 108.725 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.67 142.6 58.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.549 0.69 . . . . 0.0 111.738 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 86.62 -86.83 1.55 Allowed Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.255 0.931 . . . . 0.0 111.033 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 58.2 m -141.41 136.55 31.49 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.012 1.725 . . . . 0.0 110.772 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 66.2 mtm-85 -74.71 123.26 24.6 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.579 . . . . 0.0 112.1 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -153.1 135.9 15.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.611 2.364 . . . . 0.0 109.881 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.31 108.36 18.38 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.697 0.68 . . . . 0.0 111.649 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.87 130.67 47.92 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.711 2.805 . . . . 0.0 109.28 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -136.95 163.41 30.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.019 1.327 . . . . 0.0 113.891 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.95 -141.35 36.95 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 127.146 2.308 . . . . 0.0 116.608 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -49.12 -40.49 32.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.386 1.475 . . . . 0.0 114.35 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -55.11 -30.12 59.07 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.925 0.89 . . . . 0.0 112.748 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -57.66 -62.1 2.04 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.02 0.928 . . . . 0.0 109.195 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.99 -43.68 73.78 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.314 1.046 . . . . 0.0 111.479 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -57.77 -49.33 76.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.997 0.919 . . . . 0.0 111.032 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.3 88.97 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.06 -43.84 77.71 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.505 1.122 . . . . 0.0 112.62 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.44 -31.7 69.53 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.54 -18.18 17.83 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.51 -60.71 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 112.062 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.27 0.4 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.422 2.689 . . . . 0.0 115.034 -176.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.388 0.137 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -147.8 140.4 14.67 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.465 1.506 . . . . 0.0 111.661 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.31 -38.27 91.46 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.027 2.484 . . . . 0.0 114.024 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.05 -40.75 95.22 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.105 1.32 . . . . 0.0 111.706 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.61 -39.77 81.39 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.47 -0.769 . . . . 0.0 109.653 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -58.85 -50.19 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -51.56 -52.25 48.78 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.735 1.214 . . . . 0.0 111.198 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -56.34 -48.44 76.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.417 1.487 . . . . 0.0 111.928 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.18 -52.63 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.804 1.241 . . . . 0.0 109.85 176.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.48 -57.78 5.62 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.084 1.754 . . . . 0.0 112.372 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -57.62 -50.12 74.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.522 0.601 . . . . 0.0 111.983 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.18 -39.48 79.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.331 0.969 . . . . 0.0 113.111 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.42 -51.61 67.74 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 109.079 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.52 -51.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.437 1.095 . . . . 0.0 111.285 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.54 -46.39 80.68 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.92 0.888 . . . . 0.0 113.184 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.17 -45.86 91.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.977 0.911 . . . . 0.0 111.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.65 -47.94 80.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.436 0.694 . . . . 0.0 110.147 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.35 -52.0 64.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.144 0.978 . . . . 0.0 110.834 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.0 -43.88 4.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.31 1.844 . . . . 0.0 114.737 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -75.56 -48.15 23.65 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.59 -0.694 . . . . 0.0 111.724 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -57.32 -37.56 72.68 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.051 0.842 . . . . 0.0 112.874 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 t -56.79 -60.61 3.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 128.041 2.537 . . . . 0.0 111.546 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -60.11 -40.15 88.67 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.227 -0.92 . . . . 0.0 111.747 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -56.07 -53.06 61.48 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.34 1.056 . . . . 0.0 110.902 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -53.6 -49.02 68.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.907 2.483 . . . . 0.0 111.234 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.46 -51.79 68.01 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.332 1.453 . . . . 0.0 111.811 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.49 -49.72 72.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.863 1.265 . . . . 0.0 112.499 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.2 95.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.201 1.8 . . . . 0.0 113.502 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -136.47 -67.83 0.5 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.839 1.256 . . . . 0.0 112.602 -178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.76 0.98 Allowed Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.618 1.104 . . . . 0.0 112.133 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -140.48 173.74 11.2 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.159 1.384 . . . . 0.0 113.06 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.04 -44.87 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.088 1.755 . . . . 0.0 112.499 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -122.63 73.16 1.11 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.525 1.53 . . . . 0.0 111.417 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.47 -54.37 7.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.375 1.07 . . . . 0.0 109.781 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -80.09 177.48 8.91 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.095 1.758 . . . . 0.0 111.722 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 m -135.38 -50.11 0.73 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.638 1.575 . . . . 0.0 114.377 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -122.88 130.65 24.53 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.809 1.644 . . . . 0.0 111.696 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.72 -36.89 20.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.987 3.125 . . . . 0.0 114.5 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -55.61 -22.42 22.33 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.121 2.169 . . . . 0.0 114.18 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 10.9 t -53.93 -47.68 70.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.913 1.685 . . . . 0.0 110.201 173.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -39.71 68.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.081 1.352 . . . . 0.0 112.263 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -61.04 -52.15 66.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.703 0.801 . . . . 0.0 109.303 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.8 mmt -58.32 -38.37 76.98 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.356 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 46.1 mttp -60.18 -45.2 93.93 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.639 1.563 . . . . 0.0 111.61 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -59.45 -46.48 88.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.591 0.756 . . . . 0.0 110.193 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.0 -53.21 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.582 1.553 . . . . 0.0 110.569 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.38 -52.01 41.07 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 128.858 2.863 . . . . 0.0 111.639 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -55.73 -45.56 77.95 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.057 1.343 . . . . 0.0 111.881 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -64.42 -51.4 63.36 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.663 -0.648 . . . . 0.0 110.293 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.98 -49.57 5.98 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 128.265 2.626 . . . . 0.0 114.893 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 p -61.78 -50.74 71.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.871 0.868 . . . . 0.0 112.221 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -67.65 -42.82 81.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.962 1.705 . . . . 0.0 113.199 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.445 ' HB3' HH12 ' A' ' 68' ' ' ARG . 48.7 t -59.1 143.78 47.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.362 1.865 . . . . 0.0 112.547 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -130.58 -2.22 4.3 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.429 1.892 . . . . 0.0 113.09 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.63 65.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.13 1.372 . . . . 0.0 113.741 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.53 -99.79 0.11 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.375 1.464 . . . . 0.0 113.539 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -56.11 -42.37 76.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.637 1.575 . . . . 0.0 111.617 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 -16.9 58.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.985 1.714 . . . . 0.0 114.666 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.24 122.84 18.74 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.348 0.976 . . . . 0.0 111.249 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -68.67 -26.7 65.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.96 1.304 . . . . 0.0 113.303 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.21 116.66 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.925 1.29 . . . . 0.0 111.195 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.54 9.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.152 1.781 . . . . 0.0 112.514 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -58.34 -39.73 80.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.176 1.791 . . . . 0.0 113.803 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.2 t -59.29 -60.03 4.51 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.035 1.334 . . . . 0.0 110.013 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.95 61.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.617 1.167 . . . . 0.0 112.085 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.7 m -62.4 -59.19 5.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.599 1.56 . . . . 0.0 112.878 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.1 p -54.9 -42.96 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.827 1.651 . . . . 0.0 112.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.445 HH12 ' HB3' ' A' ' 53' ' ' CYS . 3.1 mtt85 -54.84 -48.78 72.43 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.365 -0.835 . . . . 0.0 110.424 173.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -55.58 33.29 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.943 1.697 . . . . 0.0 113.071 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -45.53 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.201 0.909 . . . . 0.0 112.462 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.62 -40.95 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.548 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -52.74 -50.96 62.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.374 0.67 . . . . 0.0 110.049 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.36 -61.84 2.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.206 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.407 ' CD1' ' HA ' ' A' ' 85' ' ' CYS . 4.8 t90 -48.94 -44.43 40.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -66.44 -49.83 65.4 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.453 1.101 . . . . 0.0 112.235 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.35 -39.87 92.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.034 1.333 . . . . 0.0 113.662 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.3 t -60.72 115.71 3.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.976 1.711 . . . . 0.0 112.843 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -130.65 19.49 5.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.476 2.31 . . . . 0.0 111.236 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -62.35 154.03 29.25 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.743 2.817 . . . . 0.0 112.148 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -49.72 -52.21 33.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.986 1.314 . . . . 0.0 110.45 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.66 137.25 16.86 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.352 1.461 . . . . 0.0 112.712 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.28 141.2 38.38 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.787 2.835 . . . . 0.0 105.14 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.72 -10.25 13.73 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.944 3.096 . . . . 0.0 117.185 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.2 t -128.16 -49.04 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 120.048 1.294 . . . . 0.0 111.509 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 8.3 m -54.88 -58.59 6.99 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.802 1.641 . . . . 0.0 112.55 -177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.86 -58.66 9.49 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.675 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -54.11 -44.01 53.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 122.527 1.938 . . . . 0.0 113.482 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.85 -48.51 81.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.82 1.248 . . . . 0.0 112.32 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -62.84 -49.74 73.72 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.856 1.263 . . . . 0.0 111.696 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.48 -43.45 88.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.048 1.739 . . . . 0.0 112.782 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.91 94.91 0.05 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.781 1.633 . . . . 0.0 112.617 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -162.36 151.52 15.47 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.076 2.15 . . . . 0.0 111.255 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.16 83.84 2.05 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.066 1.747 . . . . 0.0 108.367 176.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -130.28 113.34 14.28 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.491 1.916 . . . . 0.0 110.688 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.868 2.067 . . . . 0.0 111.731 -179.489 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.518 0.199 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.27 145.78 55.78 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.563 1.145 . . . . 0.0 111.752 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 tp -66.43 -50.44 63.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.369 1.067 . . . . 0.0 113.512 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.46 25.4 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.428 0.691 . . . . 0.0 110.666 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 70.1 m -81.53 32.74 0.35 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.375 1.47 . . . . 0.0 112.986 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -47.16 -53.08 13.87 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.385 2.274 . . . . 0.0 113.69 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.6 74.45 1.45 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.652 1.981 . . . . 0.0 109.947 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 106' ' ' LEU . 12.3 mt -80.8 67.18 6.6 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.016 1.389 . . . . 0.0 108.627 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.88 22.47 0.02 OUTLIER Glycine 0 CA--C 1.538 1.469 0 C-N-CA 126.95 2.214 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -55.34 -55.27 33.47 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.134 1.467 . . . . 0.0 112.151 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 66.2 m -127.89 8.81 6.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.342 1.457 . . . . 0.0 112.489 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 47.4 mtp -66.41 -34.08 77.14 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.13 -44.31 69.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.315 1.446 . . . . 0.0 111.188 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.31 -49.41 69.58 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.362 1.865 . . . . 0.0 113.561 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.6 m -133.08 -42.31 0.89 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 114.638 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.09 -95.13 0.72 Allowed Glycine 0 N--CA 1.473 1.123 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.1 130.88 23.85 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.272 1.829 . . . . 0.0 108.473 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.43 -172.57 1.17 Allowed 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.985 3.123 . . . . 0.0 113.231 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.86 62.77 1.06 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.412 1.885 . . . . 0.0 108.364 171.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.43 169.71 11.9 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.495 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -140.15 169.83 16.97 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.105 0.962 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.1 p -52.39 -50.29 62.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.84 1.256 . . . . 0.0 109.958 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -52.49 -61.97 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.534 1.533 . . . . 0.0 112.073 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -52.7 35.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.579 1.152 . . . . 0.0 111.962 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.23 -50.26 73.81 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.327 1.051 . . . . 0.0 112.424 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.39 -43.84 88.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.91 1.284 . . . . 0.0 111.916 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -59.63 -49.03 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.678 1.591 . . . . 0.0 111.549 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -74.76 -39.61 61.7 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -134.94 77.69 55.97 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.867 1.267 . . . . 0.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.33 125.44 19.17 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.023 3.149 . . . . 0.0 114.181 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.99 124.06 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.231 1.413 . . . . 0.0 108.688 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -59.61 138.74 57.63 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.695 0.759 . . . . 0.0 112.685 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 88.5 -78.91 1.7 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.874 1.226 . . . . 0.0 110.69 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 66.6 m -147.36 155.45 41.99 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.824 2.05 . . . . 0.0 111.21 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -65.45 142.44 58.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.964 0.905 . . . . 0.0 110.749 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -150.03 169.12 21.97 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.678 1.991 . . . . 0.0 110.867 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 30.2 mt -141.88 79.74 1.69 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.098 2.159 . . . . 0.0 107.74 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.39 132.95 10.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.098 2.559 . . . . 0.0 109.553 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 165.61 26.98 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 54.46 -145.66 27.12 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.472 1.987 . . . . 0.0 116.159 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.93 -33.8 57.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -57.29 -27.09 61.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.92 0.888 . . . . 0.0 112.433 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -62.11 2.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 108.532 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.44 -42.92 71.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.254 1.422 . . . . 0.0 110.844 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -55.92 -50.67 70.09 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.438 1.495 . . . . 0.0 110.947 173.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.21 94.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.5 1.12 . . . . 0.0 111.968 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.51 -38.84 91.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.713 1.205 . . . . 0.0 112.458 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.37 -32.14 73.62 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -56.66 -14.98 3.69 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.99 -39.91 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.315 1.846 . . . . 0.0 112.597 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.155 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -141.33 137.36 16.55 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 126.493 1.917 . . . . 0.0 110.415 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -58.67 -42.69 51.39 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.956 2.437 . . . . 0.0 113.412 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.36 -41.51 98.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.515 1.052 . . . . 0.0 111.857 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.81 -37.6 74.07 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.091 0.859 . . . . 0.0 110.808 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.43 -45.1 88.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.987 0.812 . . . . 0.0 110.553 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -55.45 -47.22 76.37 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.702 1.201 . . . . 0.0 111.197 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.83 -47.19 85.68 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.675 1.59 . . . . 0.0 111.15 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -59.41 -52.45 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.082 1.353 . . . . 0.0 110.027 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -46.73 -56.81 5.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.541 1.937 . . . . 0.0 112.477 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.52 -49.23 75.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.873 0.76 . . . . 0.0 112.385 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.76 -35.52 76.63 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.104 0.865 . . . . 0.0 112.778 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.01 -55.52 31.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.551 1.541 . . . . 0.0 108.626 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.93 -46.46 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.594 1.558 . . . . 0.0 111.89 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -57.52 -51.31 69.97 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.459 1.027 . . . . 0.0 112.127 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.43 -42.56 82.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.211 1.405 . . . . 0.0 111.997 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.33 -50.1 74.29 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.076 0.95 . . . . 0.0 110.682 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -54.13 -49.93 68.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.447 0.699 . . . . 0.0 110.232 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.14 -55.04 2.73 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.663 1.585 . . . . 0.0 113.602 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.59 -39.26 64.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.143 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -53.53 -49.99 66.42 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 120.535 1.516 . . . . 0.0 110.167 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.3 t -57.48 -52.14 66.59 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.956 2.902 . . . . 0.0 110.637 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -56.01 -51.07 69.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.19 0.996 . . . . 0.0 111.708 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -53.33 -51.42 62.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.265 1.826 . . . . 0.0 110.507 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -55.18 -53.02 61.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.898 1.279 . . . . 0.0 110.848 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -54.95 -48.65 72.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.489 1.516 . . . . 0.0 112.116 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -58.92 -47.47 84.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.787 1.235 . . . . 0.0 111.521 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.77 -51.88 66.51 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.885 1.274 . . . . 0.0 111.982 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -145.85 114.15 6.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.266 1.826 . . . . 0.0 111.117 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.56 124.69 27.41 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.003 0.811 . . . . 0.0 112.59 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -142.71 140.37 31.48 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.812 1.645 . . . . 0.0 110.434 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -81.16 -59.08 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.369 1.468 . . . . 0.0 109.973 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.8 80.75 8.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.997 1.319 . . . . 0.0 110.211 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.33 -62.29 0.75 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 110.875 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.9 t -66.93 158.33 31.03 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.394 1.477 . . . . 0.0 112.352 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.2 p -135.5 -58.0 0.78 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.444 1.898 . . . . 0.0 112.836 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 mt -57.88 126.65 77.34 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.659 1.984 . . . . 0.0 111.767 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -66.07 -45.04 6.36 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.791 2.327 . . . . 0.0 112.521 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -71.76 -1.87 15.53 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.7 t -53.0 -46.55 68.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.028 0.931 . . . . 0.0 109.473 172.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -53.3 -47.39 69.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.794 1.638 . . . . 0.0 111.546 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -57.56 -52.64 64.59 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.438 1.095 . . . . 0.0 110.034 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 34.9 mmt -59.74 -40.82 89.35 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.483 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -57.8 -44.2 86.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.461 1.482 . . . . 0.0 111.386 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -61.28 -48.95 79.05 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.872 0.869 . . . . 0.0 110.401 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.0 t -55.31 -56.02 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.579 1.552 . . . . 0.0 110.273 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.03 -55.87 9.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.442 3.097 . . . . 0.0 111.941 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -51.11 -56.58 11.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.402 1.081 . . . . 0.0 110.786 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.32 -47.53 78.54 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.951 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -49.63 15.0 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.592 1.957 . . . . 0.0 112.918 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -45.3 94.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.825 0.85 . . . . 0.0 112.958 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -71.08 -45.53 63.56 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.424 1.09 . . . . 0.0 112.681 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.74 106.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.756 2.423 . . . . 0.0 111.902 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.69 -16.58 60.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.875 1.27 . . . . 0.0 113.883 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.53 -177.72 2.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.151 1.38 . . . . 0.0 112.722 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.26 -109.32 1.75 Allowed Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.706 1.622 . . . . 0.0 110.462 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.28 67.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.65 0.78 . . . . 0.0 112.829 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.38 71.35 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.96 121.38 11.67 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.653 1.115 . . . . 0.0 110.228 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.07 -23.91 67.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.168 1.387 . . . . 0.0 114.444 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 115.96 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.954 1.302 . . . . 0.0 109.648 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.09 -55.93 4.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.519 1.927 . . . . 0.0 113.637 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -63.78 -45.97 87.34 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.854 1.262 . . . . 0.0 113.35 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.13 -49.7 73.18 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.751 1.221 . . . . 0.0 110.758 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.65 -60.53 3.31 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.13 0.972 . . . . 0.0 110.306 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.7 m -55.85 -52.67 63.23 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.525 2.33 . . . . 0.0 115.545 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 p -51.78 -33.11 33.81 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.318 1.847 . . . . 0.0 115.149 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -58.9 -54.36 48.02 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.237 -0.914 . . . . 0.0 111.501 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -51.02 66.31 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.388 0.994 . . . . 0.0 113.102 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -52.53 -43.37 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.24 0.927 . . . . 0.0 112.958 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.82 -42.27 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.653 0.781 . . . . 0.0 111.454 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 m -52.94 -48.3 67.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.443 1.097 . . . . 0.0 110.527 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.63 -63.31 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.061 1.344 . . . . 0.0 109.601 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -49.92 -45.24 50.87 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -64.17 -44.13 93.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.01 -42.48 63.19 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.766 1.226 . . . . 0.0 113.466 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 128.67 38.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.898 1.679 . . . . 0.0 113.649 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -135.1 14.96 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.203 2.201 . . . . 0.0 111.228 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -62.62 135.31 57.32 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.263 2.225 . . . . 0.0 111.059 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -53.51 -39.0 64.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.816 1.646 . . . . 0.0 114.636 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -141.27 45.89 1.74 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.24 137.53 97.15 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -58.8 -15.39 26.33 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.029 3.153 . . . . 0.0 116.618 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.01 -51.66 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.606 1.093 . . . . 0.0 110.914 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 m -53.92 -49.42 68.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.312 1.845 . . . . 0.0 113.127 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.58 -62.36 4.64 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 116.942 -1.504 . . . . 0.0 112.487 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -57.33 -35.01 98.86 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.406 2.071 . . . . 0.0 113.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.3 -49.67 66.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.857 0.863 . . . . 0.0 111.578 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -60.91 -54.58 43.34 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.522 1.529 . . . . 0.0 111.536 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -134.22 101.14 4.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.472 1.909 . . . . 0.0 110.299 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.47 120.4 14.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.869 0.468 . . . . 0.0 110.613 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 m -56.01 118.31 4.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.429 1.492 . . . . 0.0 112.165 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -64.17 -38.13 89.93 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.556 0.742 . . . . 0.0 112.433 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -54.37 107.21 0.26 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.069 1.348 . . . . 0.0 110.975 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.329 1.852 . . . . 0.0 112.744 -178.08 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.503 0.192 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -144.96 128.01 16.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.633 1.573 . . . . 0.0 110.394 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.551 ' HG ' ' H ' ' B' ' 102' ' ' ALA . 12.8 tp -148.47 -157.0 0.77 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.665 1.586 . . . . 0.0 110.456 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.551 ' H ' ' HG ' ' B' ' 101' ' ' LEU . . . 57.61 -103.11 0.17 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.664 1.986 . . . . 0.0 108.388 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 95.9 m -87.42 71.76 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -50.19 123.05 7.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.992 1.317 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 75.7 mt 52.22 73.04 0.36 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.314 1.846 . . . . 0.0 110.909 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.4 mt -44.07 -44.96 7.81 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.978 1.311 . . . . 0.0 112.396 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -37.05 -41.67 0.68 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 127.386 2.422 . . . . 0.0 114.513 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -44.82 -63.42 0.92 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.64 1.976 . . . . 0.0 112.327 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 50.1 m -79.03 -42.25 26.95 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.435 1.894 . . . . 0.0 112.022 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 86.4 mmm -51.73 -37.79 52.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.148 1.379 . . . . 0.0 112.792 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -55.98 -46.29 78.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.453 1.501 . . . . 0.0 112.575 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.47 -60.13 2.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.769 1.628 . . . . 0.0 112.305 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 33.6 m -66.23 -41.85 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 115.63 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.63 -112.23 4.81 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 -170.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 29.6 mt -130.19 119.85 18.87 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.226 1.41 . . . . 0.0 108.36 170.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.21 174.13 13.34 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.245 2.63 . . . . 0.0 112.402 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -112.29 64.83 0.63 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.85 1.26 . . . . 0.0 108.728 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.19 167.46 16.18 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.764 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.0 p -136.99 170.04 16.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.342 1.057 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 3.0 p -52.63 -53.91 40.5 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.391 1.077 . . . . 0.0 109.689 173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -51.07 -57.29 9.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.647 1.579 . . . . 0.0 111.994 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -52.66 -51.09 61.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.642 0.656 . . . . 0.0 112.152 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.12 -49.11 77.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.738 0.815 . . . . 0.0 112.231 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.68 -41.57 73.91 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.195 1.398 . . . . 0.0 112.191 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 14.3 t -71.14 -52.72 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.857 2.063 . . . . 0.0 112.396 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -77.22 -31.19 55.0 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -174.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.34 70.44 67.93 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 124.593 1.157 . . . . 0.0 111.668 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.38 132.72 53.86 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.754 2.969 . . . . 0.0 113.557 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.5 mt -69.03 132.47 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.789 1.235 . . . . 0.0 108.927 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -59.9 140.09 56.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.201 0.6 . . . . 0.0 112.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 88.16 -82.78 1.53 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.686 1.136 . . . . 0.0 110.386 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 41.2 m -148.26 147.48 29.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.224 1.81 . . . . 0.0 110.819 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 79.9 mtt85 -66.62 116.08 7.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.559 0.744 . . . . 0.0 110.164 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -150.6 125.92 10.06 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 126.417 1.887 . . . . 0.0 109.065 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 36.3 mt -89.58 119.97 30.47 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 132.83 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 129.172 2.989 . . . . 0.0 109.276 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -131.1 163.61 27.28 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 47.45 -140.12 8.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.184 2.326 . . . . 0.0 116.404 174.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -55.84 -30.71 61.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.55 -31.34 62.06 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 118.278 -0.868 . . . . 0.0 112.064 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.57 -61.98 2.19 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.658 1.183 . . . . 0.0 107.831 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.7 -47.52 70.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.206 1.403 . . . . 0.0 111.301 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -54.3 -45.88 72.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.955 1.302 . . . . 0.0 111.23 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.15 65.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.43 1.092 . . . . 0.0 111.045 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.17 -43.38 82.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.061 0.944 . . . . 0.0 112.441 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.34 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.928 1.691 . . . . 0.0 115.107 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.18 -21.67 66.65 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.39 115.02 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.663 1.185 . . . . 0.0 109.604 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.83 1.252 . . . . 0.0 113.29 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.748 0.308 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -142.29 134.3 13.42 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.439 1.896 . . . . 0.0 110.637 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -61.09 -44.94 21.47 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.269 2.646 . . . . 0.0 113.669 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.64 -40.7 95.91 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.131 1.332 . . . . 0.0 111.519 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.75 -36.14 73.87 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.155 -0.966 . . . . 0.0 110.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -46.11 89.43 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.454 1.102 . . . . 0.0 109.902 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -56.0 -48.38 76.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.261 1.424 . . . . 0.0 111.007 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -57.43 -44.22 84.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.389 1.076 . . . . 0.0 110.858 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.81 -49.26 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.086 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -51.49 -52.23 48.43 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.669 1.122 . . . . 0.0 111.023 176.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -52.56 -59.52 4.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.802 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -57.59 -38.82 75.54 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -55.4 34.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.24 1.416 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.31 -51.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.182 1.393 . . . . 0.0 112.169 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.1 mt -56.13 -46.9 79.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.34 0.973 . . . . 0.0 112.253 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.36 -46.57 89.65 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.679 1.192 . . . . 0.0 112.689 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.5 -53.53 57.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.578 1.151 . . . . 0.0 110.306 176.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -54.64 -50.67 67.59 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 110.56 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -60.23 1.86 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.713 1.605 . . . . 0.0 113.245 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.33 -42.84 99.34 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.34 -0.85 . . . . 0.0 112.341 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -56.87 -43.45 81.23 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.296 1.038 . . . . 0.0 111.494 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t -66.93 -32.21 73.3 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.013 2.925 . . . . 0.0 112.556 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -53.15 -47.57 68.63 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.147 1.34 . . . . 0.0 110.366 173.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.98 -47.34 86.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.695 1.198 . . . . 0.0 110.776 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -54.42 -61.48 2.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.333 1.453 . . . . 0.0 111.847 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.01 -44.73 94.37 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -34.36 78.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.159 0.89 . . . . 0.0 112.199 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.74 12.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -149.65 115.93 5.76 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.596 1.558 . . . . 0.0 111.16 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.81 -177.43 48.11 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.092 0.853 . . . . 0.0 113.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -123.86 -170.21 2.09 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.659 1.984 . . . . 0.0 111.012 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.84 -41.02 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.791 1.637 . . . . 0.0 111.498 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -132.22 72.95 1.51 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.851 1.66 . . . . 0.0 108.907 175.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.01 -57.31 13.09 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.808 1.643 . . . . 0.0 112.979 -177.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -71.89 146.11 48.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.165 1.386 . . . . 0.0 112.341 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -67.28 -41.1 86.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.068 1.347 . . . . 0.0 112.974 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.11 120.04 79.34 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.267 1.027 . . . . 0.0 110.109 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.09 -33.52 40.63 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.905 1.737 . . . . 0.0 110.393 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.39 -25.4 65.87 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.806 2.442 . . . . 0.0 113.77 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.78 -47.98 70.22 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.416 1.486 . . . . 0.0 109.518 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -57.69 -38.23 74.83 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.591 1.556 . . . . 0.0 112.543 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -62.47 -52.91 61.65 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.665 0.786 . . . . 0.0 109.524 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -39.03 74.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.541 0.609 . . . . 0.0 111.525 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -62.04 -44.2 97.21 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.801 1.241 . . . . 0.0 112.054 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -60.77 -49.01 79.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.801 0.84 . . . . 0.0 110.066 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.3 t -53.42 -54.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.933 1.693 . . . . 0.0 109.902 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -50.49 -55.29 16.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.279 2.632 . . . . 0.0 112.315 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -55.06 -43.02 73.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.637 1.175 . . . . 0.0 111.975 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -68.08 -48.22 66.13 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.303 0.641 . . . . 0.0 110.711 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.48 -48.86 7.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.569 2.748 . . . . 0.0 114.845 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -61.05 -48.77 80.22 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 112.244 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -69.81 -50.85 38.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.023 1.729 . . . . 0.0 112.323 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.72 134.47 54.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.69 1.996 . . . . 0.0 112.213 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -117.19 -5.6 11.35 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.62 1.568 . . . . 0.0 112.593 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.66 60.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.706 1.603 . . . . 0.0 112.916 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.16 -99.43 0.11 Allowed Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.116 1.341 . . . . 0.0 113.191 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -56.56 -40.49 75.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 111.813 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.94 -17.51 58.85 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.549 1.54 . . . . 0.0 114.735 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.6 134.97 52.17 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.397 0.998 . . . . 0.0 111.055 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.6 -35.0 79.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.97 124.49 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.457 1.503 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.04 -62.02 2.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.304 1.042 . . . . 0.0 112.233 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -47.76 -37.43 13.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.665 2.386 . . . . 0.0 114.307 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.2 t -55.51 -48.94 73.84 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.054 2.142 . . . . 0.0 111.44 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.99 66.09 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.288 -0.882 . . . . 0.0 111.249 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -60.41 3.31 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.148 1.379 . . . . 0.0 112.22 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 p -50.61 -42.27 55.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.659 1.984 . . . . 0.0 114.415 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -61.86 -49.98 74.08 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.195 -0.941 . . . . 0.0 110.989 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -54.44 39.19 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.607 1.963 . . . . 0.0 112.665 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.53 -41.36 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.82 -41.34 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.897 0.771 . . . . 0.0 111.209 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -51.69 -47.1 64.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.908 0.776 . . . . 0.0 110.14 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -56.51 -65.86 0.54 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.617 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -51.36 -43.14 61.76 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -61.11 -52.16 66.06 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.375 1.07 . . . . 0.0 112.27 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.63 -40.21 63.93 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.164 1.386 . . . . 0.0 114.148 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 40.1 t -55.14 123.5 13.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.748 1.619 . . . . 0.0 111.952 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -124.35 13.83 8.9 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.926 1.69 . . . . 0.0 111.97 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 67.4 ttt180 -66.96 122.62 18.13 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.086 1.755 . . . . 0.0 109.665 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -69.77 1.51 4.25 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 4.6 p-10 -147.15 20.01 1.23 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.0 137.15 93.93 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 119.835 1.198 . . . . 0.0 108.79 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -54.51 -30.32 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.136 3.224 . . . . 0.0 116.533 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -51.72 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.382 0.992 . . . . 0.0 111.227 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.1 m -54.88 -52.58 62.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.234 1.814 . . . . 0.0 112.36 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.66 -61.09 4.67 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 117.049 -1.453 . . . . 0.0 113.085 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -56.67 -42.35 66.01 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.022 1.758 . . . . 0.0 112.316 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.84 -50.3 72.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 112.825 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.78 -50.49 73.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.362 . . . . 0.0 111.312 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -62.32 -40.97 98.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.036 1.735 . . . . 0.0 113.432 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.25 110.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.575 1.55 . . . . 0.0 112.698 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.3 m -135.27 110.85 9.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.827 1.651 . . . . 0.0 110.673 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -149.39 137.74 20.77 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.05 108.8 10.04 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.763 1.625 . . . . 0.0 110.141 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.208 1.803 . . . . 0.0 112.589 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.523 0.202 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.12 151.6 47.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.069 0.948 . . . . 0.0 112.355 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 tp -135.83 78.82 1.74 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.317 1.447 . . . . 0.0 109.754 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -171.08 -60.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 129.167 2.987 . . . . 0.0 108.128 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 84.8 m -133.65 64.71 1.6 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.045 2.538 . . . . 0.0 106.77 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -30.79 -56.48 0.21 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 128.505 2.722 . . . . 0.0 113.751 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.73 88.1 2.75 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.438 1.495 . . . . 0.0 107.811 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.21 -42.01 80.52 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.044 0.937 . . . . 0.0 110.562 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.63 -44.57 0.67 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 128.067 2.746 . . . . 0.0 114.398 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -40.16 -56.8 1.83 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.214 2.206 . . . . 0.0 112.76 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 64.8 m -87.78 -41.1 13.52 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.663 1.985 . . . . 0.0 112.225 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 98.2 mmm -51.64 -41.49 61.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.43 1.092 . . . . 0.0 112.333 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -55.1 -33.97 63.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.381 1.872 . . . . 0.0 114.507 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.81 -48.46 81.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.4 p -146.15 -0.32 0.79 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.86 -74.78 2.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 120.85 -1.156 . . . . 0.0 110.797 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -143.51 127.67 9.38 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.582 1.953 . . . . 0.0 110.186 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -82.37 -179.14 4.43 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.649 2.899 . . . . 0.0 112.171 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -128.41 64.44 1.42 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.345 1.858 . . . . 0.0 108.128 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.65 108.62 2.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.546 1.538 . . . . 0.0 109.53 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 48.3 p -72.7 170.75 13.89 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.553 0.692 . . . . 0.0 111.24 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -51.49 -51.66 53.19 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.523 1.129 . . . . 0.0 109.645 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -52.89 -57.29 10.76 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.355 1.862 . . . . 0.0 111.567 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -49.43 -54.18 18.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.042 0.937 . . . . 0.0 111.861 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.72 -57.16 14.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.1 -44.16 78.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.099 1.36 . . . . 0.0 112.983 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.72 -54.29 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.021 1.729 . . . . 0.0 112.434 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -76.87 -33.78 57.83 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.75 74.99 68.84 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 124.714 1.206 . . . . 0.0 112.602 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.2 163.19 10.39 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.504 3.47 . . . . 0.0 112.969 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 14.8 mt -112.67 135.49 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.658 1.183 . . . . 0.0 110.788 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -74.22 102.84 4.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.775 0.83 . . . . 0.0 111.51 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.79 -148.87 16.73 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 116.026 1.171 . . . . 0.0 116.026 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 56.1 p -68.23 -47.06 68.83 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.272 2.229 . . . . 0.0 116.572 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -54.82 144.63 21.97 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.354 1.061 . . . . 0.0 112.903 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -132.46 -67.04 0.67 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.896 1.678 . . . . 0.0 110.945 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 11.2 mt -119.21 107.44 13.44 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.113 0.965 . . . . 0.0 109.902 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 136.81 57.97 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.006 2.122 . . . . 0.0 109.544 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -124.16 158.38 32.47 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 41.81 -135.07 3.4 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 128.149 2.785 . . . . 0.0 117.639 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.92 -36.34 59.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.916 1.287 . . . . 0.0 113.954 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -56.54 -28.87 61.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.766 0.826 . . . . 0.0 112.233 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.51 -64.32 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.051 0.941 . . . . 0.0 108.648 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.81 -42.91 68.9 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.022 1.329 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.48 -50.55 72.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.885 1.274 . . . . 0.0 110.951 174.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.61 99.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.624 1.169 . . . . 0.0 112.044 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.98 -41.52 95.35 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.569 1.147 . . . . 0.0 112.528 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -60.03 -37.86 81.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -54.82 -13.41 1.05 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.1 -35.64 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.743 1.617 . . . . 0.0 112.137 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.113 1.365 . . . . 0.0 114.495 -177.748 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.374 0.131 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -143.97 138.37 14.99 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.624 1.57 . . . . 0.0 111.212 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.56 -40.67 63.76 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.977 2.451 . . . . 0.0 113.591 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.82 -40.08 91.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.689 1.131 . . . . 0.0 111.596 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.07 -38.02 78.44 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.536 -0.728 . . . . 0.0 110.375 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.66 -44.55 95.97 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.748 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.68 -49.96 69.39 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.642 1.11 . . . . 0.0 110.933 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.37 -45.94 87.26 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.39 1.476 . . . . 0.0 111.479 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.04 -51.31 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.729 1.212 . . . . 0.0 109.713 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -52.42 -49.33 64.76 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.524 1.13 . . . . 0.0 111.162 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -54.89 -53.88 49.72 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.725 1.21 . . . . 0.0 110.926 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -56.99 -44.11 82.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.197 0.999 . . . . 0.0 111.785 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.77 -54.98 37.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.982 1.713 . . . . 0.0 109.206 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.1 t -55.3 -55.95 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.173 1.389 . . . . 0.0 111.83 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 33.9 mt -58.54 -42.02 86.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.886 0.766 . . . . 0.0 112.938 -179.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.96 -49.56 74.25 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.165 0.893 . . . . 0.0 111.701 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.22 -49.05 75.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.249 0.619 . . . . 0.0 110.317 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -54.21 -52.04 62.53 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.436 1.094 . . . . 0.0 111.115 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.93 -50.29 10.6 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.535 1.516 . . . . 0.0 114.007 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -65.05 -48.28 74.37 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.389 -0.819 . . . . 0.0 111.7 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -54.55 -46.12 73.58 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.779 1.231 . . . . 0.0 110.916 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.4 -42.77 96.64 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 128.213 2.605 . . . . 0.0 111.44 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.59 -49.77 75.31 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.262 -0.899 . . . . 0.0 109.898 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -56.21 -48.85 75.62 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.421 1.089 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.57 -51.99 61.18 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.875 2.07 . . . . 0.0 111.137 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.26 -48.9 78.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.671 1.988 . . . . 0.0 111.531 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.97 -45.52 82.83 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.481 1.113 . . . . 0.0 111.103 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.01 -53.76 45.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.855 1.262 . . . . 0.0 111.875 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -146.84 121.84 10.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.711 1.604 . . . . 0.0 112.434 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.85 152.38 12.27 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 126.295 1.902 . . . . 0.0 111.107 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.44 -91.84 0.13 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.063 0.945 . . . . 0.0 110.52 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.95 -45.02 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.552 1.141 . . . . 0.0 109.002 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.3 -179.44 6.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 128.453 2.701 . . . . 0.0 110.399 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.28 -63.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.691 1.997 . . . . 0.0 108.628 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.9 t -83.26 -179.94 7.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.765 1.626 . . . . 0.0 112.599 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 m -128.06 -30.66 2.43 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.288 2.235 . . . . 0.0 112.891 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.98 127.82 93.65 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.555 1.142 . . . . 0.0 111.186 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.4 -41.69 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.14 1.893 . . . . 0.0 109.945 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.98 -20.12 65.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.685 1.994 . . . . 0.0 114.571 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -61.77 -48.86 78.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.82 0.848 . . . . 0.0 109.187 174.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.36 -46.14 76.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.963 1.305 . . . . 0.0 110.208 173.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 m -54.55 -51.21 65.92 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.14 0.976 . . . . 0.0 110.496 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.433 ' HG3' ' HB3' ' A' ' 15' ' ' LEU . 32.7 mmt -60.58 -39.22 87.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.294 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -61.71 -42.0 98.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.489 1.495 . . . . 0.0 111.413 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.4 -47.62 85.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.571 0.748 . . . . 0.0 109.919 174.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.5 t -57.04 -48.62 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.485 1.514 . . . . 0.0 110.201 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.68 -51.4 60.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.154 2.182 . . . . 0.0 111.712 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -55.61 -54.14 47.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.265 1.026 . . . . 0.0 110.66 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -53.11 -51.06 63.12 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.128 0.971 . . . . 0.0 111.903 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.438 ' HE3' HD22 ' B' ' 141' ' ' LEU . 24.6 mtp -48.84 -43.49 38.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.89 1.676 . . . . 0.0 113.997 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -39.26 90.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.735 0.698 . . . . 0.0 112.625 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -74.97 -53.52 8.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.581 1.152 . . . . 0.0 112.018 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.4 144.91 56.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.051 1.74 . . . . 0.0 110.791 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -130.62 6.29 4.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.827 1.651 . . . . 0.0 112.239 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.19 -67.57 0.75 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.475 1.11 . . . . 0.0 112.449 -177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.02 -72.25 1.37 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.514 1.055 . . . . 0.0 112.869 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -59.48 -55.08 39.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.05 1.74 . . . . 0.0 111.309 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.65 -19.28 45.65 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.545 1.538 . . . . 0.0 114.659 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.6 t -62.34 127.95 33.75 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 121.866 0.841 . . . . 0.0 111.152 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -65.84 -30.54 71.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.12 1.368 . . . . 0.0 113.149 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.94 116.94 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.155 1.382 . . . . 0.0 110.82 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.01 -51.93 38.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.722 1.609 . . . . 0.0 112.062 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -61.09 -38.07 84.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 117.274 -1.346 . . . . 0.0 113.63 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.7 t -59.22 -54.83 42.39 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 120.829 1.65 . . . . 0.0 110.127 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.55 70.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.271 1.028 . . . . 0.0 112.393 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -69.07 -56.39 7.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.046 1.738 . . . . 0.0 114.135 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 p -50.6 -49.34 56.76 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.213 2.205 . . . . 0.0 113.646 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -55.61 -45.04 77.55 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.203 -0.936 . . . . 0.0 110.458 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -55.62 32.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.298 1.839 . . . . 0.0 112.35 176.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 pt -54.42 -43.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.173 0.897 . . . . 0.0 112.264 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.05 -39.65 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.431 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.4 m -53.13 -51.02 63.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.702 1.137 . . . . 0.0 109.934 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.36 -63.66 1.12 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 123.623 0.769 . . . . 0.0 110.07 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -51.53 -41.29 60.93 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -65.56 -53.59 39.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.381 0.672 . . . . 0.0 112.037 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.35 -34.98 77.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.894 1.278 . . . . 0.0 114.257 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.5 t -66.36 129.35 39.54 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.291 1.437 . . . . 0.0 112.942 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 p -126.63 2.75 6.81 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.523 2.329 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 68.0 ttt180 -57.55 124.69 19.88 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.231 1.812 . . . . 0.0 110.258 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.47 5.97 6.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.176 1.39 . . . . 0.0 114.205 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 4.1 p-10 -148.28 19.92 1.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.469 1.508 . . . . 0.0 114.573 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.6 137.05 96.35 Favored Pre-proline 0 CA--C 1.552 1.053 0 CA-C-N 119.468 1.031 . . . . 0.0 108.311 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -59.5 -9.51 9.11 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.949 3.099 . . . . 0.0 116.106 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.78 -54.22 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 119.733 1.151 . . . . 0.0 110.36 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -56.13 -38.9 71.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.091 1.756 . . . . 0.0 112.878 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.91 -62.57 4.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-O 117.195 -1.383 . . . . 0.0 111.574 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -55.97 -40.49 84.68 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 122.081 1.779 . . . . 0.0 112.613 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.72 -46.55 88.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.966 -1.084 . . . . 0.0 112.701 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -69.26 -40.09 78.02 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.839 1.199 . . . . 0.0 112.616 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -142.4 103.14 4.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.924 1.29 . . . . 0.0 114.082 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.55 100.94 2.3 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.799 2.04 . . . . 0.0 106.61 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.5 m -41.02 105.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.914 2.086 . . . . 0.0 114.227 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.51 132.65 15.35 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.164 2.186 . . . . 0.0 110.186 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -142.26 142.48 32.59 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.408 1.883 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.305 1.442 . . . . 0.0 111.952 177.795 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.42 -57.35 0.32 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.971 1.309 . . . . 0.0 112.747 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -132.72 -70.59 0.54 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.522 1.529 . . . . 0.0 109.104 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.79 79.93 0.49 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.961 2.104 . . . . 0.0 106.29 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 95.9 m 45.45 53.21 8.5 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.997 1.319 . . . . 0.0 110.699 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -21.26 116.95 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 129.373 3.069 . . . . 0.0 114.059 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.7 mt 63.64 80.75 0.22 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.176 2.19 . . . . 0.0 110.019 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.44 104.21 0.09 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.745 1.618 . . . . 0.0 109.436 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.29 -44.63 0.72 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.429 1.49 . . . . 0.0 111.507 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -47.55 -61.05 2.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.849 1.66 . . . . 0.0 112.706 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 17.3 p -74.72 -44.04 52.02 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.44 1.496 . . . . 0.0 112.312 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 76.6 mtp -47.52 -41.09 20.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.741 2.016 . . . . 0.0 113.073 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -49.8 -35.91 24.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.736 2.014 . . . . 0.0 114.273 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.23 -37.52 87.78 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.7 m -135.35 -14.23 1.99 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.61 -108.47 2.53 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.7 126.98 24.93 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.478 1.511 . . . . 0.0 109.503 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -82.32 176.97 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.226 2.617 . . . . 0.0 112.95 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -118.55 63.03 0.77 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.533 1.533 . . . . 0.0 108.76 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.16 168.45 15.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.907 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.4 p -138.74 168.31 20.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.316 1.047 . . . . 0.0 110.5 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 10.9 p -53.64 -50.65 65.28 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.439 1.095 . . . . 0.0 109.461 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.09 -58.63 5.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.077 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.14 -50.7 66.35 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.667 0.667 . . . . 0.0 112.06 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.43 -48.67 80.76 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.081 0.952 . . . . 0.0 111.976 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.43 -48.76 76.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.217 1.407 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.55 -49.93 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.176 1.79 . . . . 0.0 112.083 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -74.12 -39.96 62.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.65 76.84 47.06 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.59 1.156 . . . . 0.0 111.993 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -55.4 136.27 72.94 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.033 3.155 . . . . 0.0 114.414 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 25.7 mt -71.11 137.67 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.128 1.771 . . . . 0.0 108.828 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -63.31 132.48 51.71 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.195 0.907 . . . . 0.0 110.622 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.98 -142.1 24.99 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.47 1.034 . . . . 0.0 111.222 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.4 m -72.21 140.18 48.57 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.985 0.914 . . . . 0.0 111.303 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.62 143.4 57.62 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -149.74 164.72 34.49 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.833 1.653 . . . . 0.0 111.235 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.0 mt -127.23 90.02 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.714 2.006 . . . . 0.0 107.611 172.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 126.87 15.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.341 2.256 . . . . 0.0 109.184 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -146.02 159.56 43.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.27 -147.11 49.74 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.107 1.813 . . . . 0.0 114.363 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -50.44 -38.03 41.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.569 1.148 . . . . 0.0 113.761 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.8 -33.44 56.03 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.708 1.203 . . . . 0.0 112.87 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.438 HD22 ' HE3' ' A' ' 50' ' ' MET . 39.3 mt -54.81 -61.12 2.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.084 0.954 . . . . 0.0 109.129 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.3 -43.43 83.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.436 1.094 . . . . 0.0 111.346 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -56.61 -50.28 72.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.989 0.916 . . . . 0.0 110.934 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.9 93.32 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.836 1.255 . . . . 0.0 111.935 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.11 -41.96 80.98 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.54 1.136 . . . . 0.0 112.983 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.42 -38.04 73.71 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.79 -17.42 0.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.42 -38.78 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.091 1.356 . . . . 0.0 111.823 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -141.07 117.55 7.54 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.112 1.765 . . . . 0.0 110.908 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.2 -41.55 21.9 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.16 3.24 . . . . 0.0 114.392 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.48 -48.46 81.54 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.157 0.983 . . . . 0.0 111.397 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.76 -32.54 71.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.091 0.956 . . . . 0.0 111.605 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -62.63 -38.88 91.97 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.562 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -58.12 -48.6 79.7 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.675 1.125 . . . . 0.0 110.691 173.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -55.78 -50.91 69.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.064 1.345 . . . . 0.0 110.444 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.25 -51.36 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.437 1.895 . . . . 0.0 110.973 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -49.41 -51.67 33.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.473 1.509 . . . . 0.0 110.847 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -56.88 -58.34 8.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.277 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -50.05 -46.54 53.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.773 1.229 . . . . 0.0 113.157 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.6 -57.76 10.59 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.783 2.033 . . . . 0.0 109.935 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.02 -46.29 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 112.416 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.8 mt -58.86 -45.26 90.54 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.795 1.18 . . . . 0.0 111.935 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.39 -44.58 92.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.42 1.088 . . . . 0.0 111.39 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.61 -47.52 81.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.831 0.853 . . . . 0.0 110.241 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -53.46 -50.07 66.06 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.507 1.123 . . . . 0.0 110.778 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.41 -55.62 4.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.03 1.332 . . . . 0.0 112.546 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -65.12 -49.96 67.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.315 0.646 . . . . 0.0 112.342 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.28 -51.63 32.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.829 1.652 . . . . 0.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.87 -56.26 23.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.569 2.748 . . . . 0.0 110.989 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -52.48 -46.11 66.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 111.559 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -59.33 -57.56 12.49 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.856 1.663 . . . . 0.0 110.949 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -50.95 -53.32 34.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.228 1.811 . . . . 0.0 111.711 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.2 -48.3 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.02 1.328 . . . . 0.0 112.677 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.5 -46.95 86.1 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.11 0.964 . . . . 0.0 111.921 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -69.72 0.23 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.032 1.333 . . . . 0.0 111.45 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -170.94 118.35 0.49 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.722 2.009 . . . . 0.0 110.708 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.75 84.07 1.58 Allowed Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.43 -58.65 6.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.244 1.418 . . . . 0.0 111.67 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.68 139.78 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 128.331 2.652 . . . . 0.0 107.077 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 124.96 20.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.559 0.618 . . . . 0.0 110.819 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.4 -37.59 4.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.231 1.413 . . . . 0.0 111.814 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.78 115.31 2.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.134 1.774 . . . . 0.0 110.81 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.1 m -135.12 30.13 3.33 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.317 1.847 . . . . 0.0 111.629 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.2 mt -129.75 119.6 19.19 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 126.779 2.031 . . . . 0.0 109.646 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.67 -39.75 19.8 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.475 2.117 . . . . 0.0 112.343 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -71.01 -6.35 38.25 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.508 1.923 . . . . 0.0 115.698 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -51.28 -53.4 36.11 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.267 1.427 . . . . 0.0 110.372 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.86 -42.31 71.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.386 1.474 . . . . 0.0 112.048 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -59.9 -50.47 73.65 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 110.062 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.7 mmt -61.58 -37.12 82.68 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.527 -0.733 . . . . 0.0 112.347 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -59.37 -41.84 90.26 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.308 1.413 . . . . 0.0 111.231 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.37 -48.51 79.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.838 0.855 . . . . 0.0 110.31 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.65 -56.26 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.068 1.347 . . . . 0.0 109.845 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.87 -55.81 7.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.871 2.868 . . . . 0.0 111.865 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -52.25 -55.83 18.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.171 0.988 . . . . 0.0 111.038 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -55.35 -48.54 74.08 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.421 0.688 . . . . 0.0 111.318 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -45.97 30.62 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.15 2.18 . . . . 0.0 113.535 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -42.69 99.84 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.702 0.801 . . . . 0.0 112.857 178.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -72.83 -50.6 23.07 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.301 1.04 . . . . 0.0 112.273 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.14 140.04 58.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.211 1.804 . . . . 0.0 112.143 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -125.49 -6.03 7.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.989 1.716 . . . . 0.0 113.394 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.94 62.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.143 1.377 . . . . 0.0 112.147 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.83 -87.83 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.289 1.423 . . . . 0.0 113.759 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -55.83 -50.29 70.96 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.172 0.989 . . . . 0.0 112.045 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.6 -17.57 59.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.976 1.711 . . . . 0.0 115.26 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.96 128.01 33.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.342 0.974 . . . . 0.0 110.804 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.1 -32.51 73.91 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.12 1.368 . . . . 0.0 113.432 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -67.13 116.98 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.819 1.248 . . . . 0.0 110.059 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.16 -56.38 9.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.338 1.455 . . . . 0.0 112.229 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -57.91 -44.1 86.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.241 -1.361 . . . . 0.0 113.492 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 54.1 t -54.86 -52.26 63.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.507 1.503 . . . . 0.0 110.55 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.73 -59.09 5.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.738 0.815 . . . . 0.0 110.912 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -58.99 -54.48 46.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.121 2.169 . . . . 0.0 116.035 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 p -48.97 -34.34 12.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.859 2.063 . . . . 0.0 115.1 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.08 -39.83 95.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.832 -1.167 . . . . 0.0 112.107 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -51.26 58.39 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.208 0.913 . . . . 0.0 111.783 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.4 pt -52.34 -42.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.095 0.861 . . . . 0.0 112.17 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.45 -45.02 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.836 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.2 m -51.4 -50.8 58.92 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.884 0.766 . . . . 0.0 110.407 174.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.59 -66.9 0.32 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.471 1.508 . . . . 0.0 110.947 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -52.51 -44.96 66.05 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.825 1.193 . . . . 0.0 113.946 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.87 -45.83 82.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.787 1.235 . . . . 0.0 112.364 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -79.99 -41.09 26.57 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.4 t -58.94 138.72 57.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.583 1.553 . . . . 0.0 113.419 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -134.49 10.82 3.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.13 2.172 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -61.7 127.56 32.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.358 1.463 . . . . 0.0 111.903 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -62.06 -15.49 45.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.147 1.779 . . . . 0.0 115.349 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -142.96 28.46 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.17 138.69 97.5 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.37 -3.88 5.84 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.92 3.08 . . . . 0.0 116.566 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.85 -47.82 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.601 1.091 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 m -56.07 -49.09 74.75 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.075 1.75 . . . . 0.0 112.173 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.35 -61.45 4.52 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.246 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -57.74 -42.86 55.23 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.387 2.058 . . . . 0.0 112.633 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.0 mt -57.03 -51.48 69.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.236 1.015 . . . . 0.0 111.692 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.78 -47.53 85.31 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.814 1.645 . . . . 0.0 111.537 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.72 -49.3 75.6 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.93 1.292 . . . . 0.0 111.307 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.33 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.494 1.118 . . . . 0.0 111.988 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 m -67.24 88.31 0.18 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.523 1.929 . . . . 0.0 113.367 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.92 101.51 4.76 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.919 1.688 . . . . 0.0 110.427 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.5 125.39 23.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.905 1.282 . . . . 0.0 111.826 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.772 1.629 . . . . 0.0 112.46 179.198 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.383 0.135 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.29 133.24 51.02 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.066 0.946 . . . . 0.0 110.648 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.37 -52.66 63.69 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.396 1.079 . . . . 0.0 112.368 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.48 -55.41 7.93 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.123 0.969 . . . . 0.0 111.255 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 10.7 m -77.28 30.15 0.14 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -62.37 -14.72 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.081 1.752 . . . . 0.0 113.865 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 11.4 mt -31.33 112.37 0.09 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 129.689 3.196 . . . . 0.0 114.615 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.58 -48.92 52.9 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.64 57.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 C-N-CA 128.894 3.14 . . . . 0.0 109.034 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -35.43 -56.92 0.63 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.206 2.202 . . . . 0.0 114.315 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 17.4 m -123.06 8.93 9.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.035 1.734 . . . . 0.0 112.243 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.97 -39.12 72.69 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.153 0.981 . . . . 0.0 110.18 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.58 -43.88 98.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.502 1.521 . . . . 0.0 110.779 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.44 -54.89 21.91 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.887 1.675 . . . . 0.0 113.077 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.6 m -142.68 -36.93 0.38 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.4 -76.27 0.31 Allowed Glycine 0 N--CA 1.473 1.124 0 N-CA-C 107.725 -2.15 . . . . 0.0 107.725 -173.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 49.9 mt -133.89 140.54 36.74 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 127.435 2.294 . . . . 0.0 108.793 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -82.18 173.19 11.09 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.898 2.399 . . . . 0.0 113.289 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -117.17 65.41 0.73 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.54 1.536 . . . . 0.0 108.108 172.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.61 170.81 11.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.381 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 64.9 p -137.26 170.69 15.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.185 1.394 . . . . 0.0 109.347 176.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.7 p -56.71 -50.14 73.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.646 0.778 . . . . 0.0 109.714 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -51.95 -55.23 21.6 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.073 1.749 . . . . 0.0 111.938 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -52.15 -50.62 61.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.69 0.796 . . . . 0.0 111.798 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 76.2 m -61.02 -51.08 70.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.538 1.135 . . . . 0.0 112.203 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.22 -48.79 70.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.686 1.194 . . . . 0.0 111.805 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.42 -53.99 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.579 1.952 . . . . 0.0 112.701 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -74.81 -36.31 62.46 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -129.43 76.63 78.53 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.634 1.174 . . . . 0.0 111.682 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.67 135.57 71.22 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.71 2.94 . . . . 0.0 112.521 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.43 125.66 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.417 1.087 . . . . 0.0 108.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -59.8 -42.41 93.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 114.387 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -105.23 178.76 23.64 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.774 1.655 . . . . 0.0 113.811 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -74.68 68.52 1.68 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.439 1.495 . . . . 0.0 114.329 -176.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -141.09 167.4 22.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.817 2.847 . . . . 0.0 109.223 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -149.08 -46.49 0.14 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.085 0.954 . . . . 0.0 111.37 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 21.7 mt -128.61 157.99 39.73 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.472 1.909 . . . . 0.0 109.59 173.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.73 143.23 50.1 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.254 2.622 . . . . 0.0 108.447 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.989 -1.069 . . . . 0.0 113.449 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.78 -147.15 33.77 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.298 1.904 . . . . 0.0 115.564 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.42 -30.76 61.06 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.52 -29.04 61.42 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.333 0.969 . . . . 0.0 111.997 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.02 -64.13 1.06 Allowed 'General case' 0 C--N 1.344 0.355 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.4 mt -54.11 -45.85 71.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 111.521 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -54.05 -48.06 70.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.02 175.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.29 89.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.132 0.973 . . . . 0.0 111.865 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.35 -45.62 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.41 1.004 . . . . 0.0 112.585 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.51 -24.39 65.28 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.86 -24.32 61.96 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -64.62 118.73 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.388 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -140.99 117.36 7.54 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.367 1.867 . . . . 0.0 110.741 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -46.07 -44.28 19.41 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.075 3.183 . . . . 0.0 114.379 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.33 -43.9 92.67 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.538 0.735 . . . . 0.0 112.159 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -60.47 -36.98 79.56 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.439 -0.788 . . . . 0.0 110.979 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.06 -44.76 96.89 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.242 0.928 . . . . 0.0 110.979 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -54.42 -46.19 73.15 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.277 1.031 . . . . 0.0 111.173 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.26 -49.86 70.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.015 1.326 . . . . 0.0 111.061 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.97 -48.39 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.378 1.471 . . . . 0.0 110.385 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -51.51 -52.88 43.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.102 1.361 . . . . 0.0 111.087 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.66 -56.08 20.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.031 0.932 . . . . 0.0 110.698 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -57.33 -40.16 77.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.05 -56.31 22.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.207 1.403 . . . . 0.0 108.925 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.34 -50.74 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.339 1.455 . . . . 0.0 112.48 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.85 -45.34 86.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.309 0.959 . . . . 0.0 112.346 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.28 -45.75 92.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.394 1.078 . . . . 0.0 112.176 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.01 -50.17 74.77 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.157 0.983 . . . . 0.0 110.179 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.15 -51.65 67.22 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.994 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.94 -50.9 5.76 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.535 1.934 . . . . 0.0 113.641 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -65.87 -45.48 81.98 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.854 -1.154 . . . . 0.0 112.16 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' B' ' 146' ' ' ASP . 5.6 mptp? -55.95 -42.76 76.7 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.645 0.657 . . . . 0.0 111.608 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -53.03 -48.76 67.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.888 2.475 . . . . 0.0 111.166 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.48 -53.15 40.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.168 175.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -61.44 -51.54 68.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.643 1.177 . . . . 0.0 111.388 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.66 -47.64 70.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.571 1.948 . . . . 0.0 111.682 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -55.02 40.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.548 1.939 . . . . 0.0 111.094 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -59.55 -47.04 87.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.754 1.222 . . . . 0.0 112.232 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.21 70.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.414 1.486 . . . . 0.0 112.104 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -63.92 -48.04 78.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 0.0 112.1 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.5 68.33 1.34 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.381 1.467 . . . . 0.0 112.435 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.7 147.02 32.51 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.315 1.446 . . . . 0.0 111.059 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.69 -46.93 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.459 1.503 . . . . 0.0 111.088 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -135.63 79.76 1.8 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.865 2.066 . . . . 0.0 110.557 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.04 96.19 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.039 1.336 . . . . 0.0 112.421 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.5 t -74.49 -179.7 4.17 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.247 1.819 . . . . 0.0 113.671 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 m -133.18 -33.5 1.13 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.748 2.019 . . . . 0.0 114.396 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.27 125.62 91.32 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 119.097 0.862 . . . . 0.0 110.492 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.49 -37.9 16.0 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.336 2.024 . . . . 0.0 110.785 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -57.43 -31.59 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.413 2.285 . . . . 0.0 113.29 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 4.1 t -52.71 -42.76 65.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.651 1.98 . . . . 0.0 111.938 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -52.34 -49.62 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.356 1.463 . . . . 0.0 110.795 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m -57.45 -56.18 25.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.65 1.18 . . . . 0.0 110.308 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -42.09 77.8 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.75 0.704 . . . . 0.0 112.732 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.4 mtmm -62.89 -44.55 95.81 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.805 1.184 . . . . 0.0 112.141 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.21 -47.43 86.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.569 0.748 . . . . 0.0 110.376 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.2 t -54.49 -57.79 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.317 1.847 . . . . 0.0 109.754 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.57 -54.08 12.76 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.007 2.523 . . . . 0.0 112.235 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.6 -42.12 70.75 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.726 1.211 . . . . 0.0 112.477 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -71.44 -48.37 49.93 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.612 -0.68 . . . . 0.0 110.494 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.2 ttm -43.56 -44.51 6.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.284 2.634 . . . . 0.0 114.64 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.6 p -63.12 -50.28 71.1 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.617 1.167 . . . . 0.0 111.99 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -69.93 -33.69 72.49 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.072 1.749 . . . . 0.0 112.969 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.7 t -58.13 140.45 52.79 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.798 2.039 . . . . 0.0 112.533 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -131.43 -9.57 3.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.714 2.006 . . . . 0.0 113.107 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.6 74.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.681 1.192 . . . . 0.0 112.53 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.39 -110.87 3.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.636 1.112 . . . . 0.0 112.756 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.21 -38.41 90.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.509 1.124 . . . . 0.0 111.392 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.17 -14.53 62.68 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.306 1.842 . . . . 0.0 115.553 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -60.85 124.99 22.08 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.514 1.052 . . . . 0.0 110.767 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -64.49 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.893 1.277 . . . . 0.0 113.29 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.82 113.81 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 109.832 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.82 -56.55 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.267 1.827 . . . . 0.0 112.662 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -57.87 -46.63 84.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.728 1.611 . . . . 0.0 113.221 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.9 t -57.67 -58.02 10.17 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.453 1.501 . . . . 0.0 111.245 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.31 -47.88 62.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.495 1.118 . . . . 0.0 111.178 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -65.72 -53.91 34.37 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.895 2.078 . . . . 0.0 114.897 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 p -51.31 -31.27 21.01 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.492 1.917 . . . . 0.0 115.015 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -60.45 -42.77 96.82 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.045 -1.034 . . . . 0.0 112.093 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -51.93 66.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.784 1.174 . . . . 0.0 112.81 177.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.44 -43.39 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 119.068 0.849 . . . . 0.0 112.553 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.56 -42.26 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.277 0.631 . . . . 0.0 111.133 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -52.59 -47.74 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.535 0.734 . . . . 0.0 110.723 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.29 -62.56 1.68 Allowed 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 124.455 1.102 . . . . 0.0 110.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -51.9 -40.64 61.02 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -63.72 -54.76 30.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 111.658 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 -45.07 80.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.544 1.538 . . . . 0.0 113.981 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.8 t -60.38 133.1 55.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.487 1.915 . . . . 0.0 113.447 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 p -135.14 16.16 3.49 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.409 2.284 . . . . 0.0 111.884 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -62.05 134.76 57.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 111.05 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -57.1 -31.27 65.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.631 1.572 . . . . 0.0 114.765 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -143.74 40.45 1.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.84 137.23 97.04 Favored Pre-proline 0 CA--C 1.558 1.254 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.5 -16.73 37.35 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.14 3.227 . . . . 0.0 117.405 -174.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.44 -48.4 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.694 1.134 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 m -54.67 -53.64 52.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.729 1.612 . . . . 0.0 112.031 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.1 -60.44 6.77 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.697 -1.621 . . . . 0.0 113.183 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.89 -43.04 61.65 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.277 1.849 . . . . 0.0 112.837 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.82 -54.0 51.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.84 0.856 . . . . 0.0 111.873 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -55.89 -51.73 66.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 111.448 177.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.45 -48.11 72.11 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.301 1.44 . . . . 0.0 111.232 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.45 77.01 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.467 1.107 . . . . 0.0 111.579 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 m -57.37 -46.15 83.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.339 1.856 . . . . 0.0 113.135 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.61 139.9 55.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.288 1.435 . . . . 0.0 112.866 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -129.03 -68.78 0.73 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.903 1.681 . . . . 0.0 110.918 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 127.89 2.476 . . . . 0.0 111.326 179.514 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.57 0.224 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -147.99 163.63 36.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.036 1.735 . . . . 0.0 111.157 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 53.8 tp -112.98 -43.42 3.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.6 1.96 . . . . 0.0 112.097 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.28 -57.62 10.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.728 1.211 . . . . 0.0 112.229 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.18 69.95 1.41 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.22 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.594 ' H ' ' HD3' ' B' ' 104' ' ' ARG . 0.0 OUTLIER -46.88 -38.83 11.03 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.943 1.697 . . . . 0.0 111.946 176.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -115.11 79.11 1.23 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.241 1.817 . . . . 0.0 108.377 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.96 -33.83 65.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.955 0.902 . . . . 0.0 110.828 175.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -45.75 -31.16 3.79 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 127.64 2.543 . . . . 0.0 115.028 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -44.29 -57.58 3.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.584 1.954 . . . . 0.0 112.74 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 54.5 m -82.45 -23.02 34.99 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.367 1.467 . . . . 0.0 112.857 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 49.8 mtt -67.4 -35.91 80.23 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.283 -0.885 . . . . 0.0 110.588 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.5 -43.09 99.66 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.565 1.546 . . . . 0.0 110.857 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.42 -52.56 52.49 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.821 1.648 . . . . 0.0 112.859 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 m -138.2 -33.53 0.68 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -176.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.38 -76.92 0.85 Allowed Glycine 0 N--CA 1.475 1.241 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 12.4 mt -135.98 120.36 12.98 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 125.829 1.651 . . . . 0.0 108.795 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -81.41 175.73 9.33 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.192 2.595 . . . . 0.0 113.128 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -123.45 67.51 1.01 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.26 1.824 . . . . 0.0 107.73 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.16 169.91 9.48 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.297 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 58.0 p -136.54 164.41 28.24 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.141 0.976 . . . . 0.0 109.984 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -54.48 -49.64 69.62 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.388 0.675 . . . . 0.0 109.98 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.89 -56.04 18.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.489 1.516 . . . . 0.0 111.815 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -53.52 -49.59 67.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.503 0.721 . . . . 0.0 111.653 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -50.47 73.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.07 0.948 . . . . 0.0 112.054 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.93 -37.71 71.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.926 1.291 . . . . 0.0 112.792 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.67 -52.36 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.567 1.947 . . . . 0.0 111.978 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.99 -40.27 63.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.74 1.216 . . . . 0.0 114.263 -175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -131.28 72.5 81.08 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.496 1.118 . . . . 0.0 111.399 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.52 129.66 27.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.246 3.297 . . . . 0.0 114.476 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 27.7 mt -69.77 124.14 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.64 142.11 57.38 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.573 0.701 . . . . 0.0 112.863 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.67 -76.78 1.97 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.804 1.192 . . . . 0.0 110.172 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -149.66 154.1 38.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.513 1.925 . . . . 0.0 110.802 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -64.14 140.22 58.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.357 0.663 . . . . 0.0 110.209 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -144.78 173.2 12.06 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.049 1.74 . . . . 0.0 111.758 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 19.5 mt -138.63 80.78 1.81 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.352 2.261 . . . . 0.0 108.891 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.1 117.3 4.56 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -143.58 167.03 23.2 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -173.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.48 -146.14 46.82 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.472 1.51 . . . . 0.0 114.291 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.35 -34.88 59.3 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.156 0.978 . . . . 0.0 112.881 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -54.04 -34.09 59.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.815 1.246 . . . . 0.0 112.165 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.92 -64.16 0.95 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.174 0.99 . . . . 0.0 108.851 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.67 -43.36 68.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.955 1.302 . . . . 0.0 111.526 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -57.01 -51.39 69.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.668 1.187 . . . . 0.0 110.98 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.53 72.95 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.896 1.278 . . . . 0.0 111.837 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 73.3 mt -55.6 -46.71 77.26 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.7 1.2 . . . . 0.0 111.661 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . 0.442 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 25.1 t70 -66.06 -17.65 64.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -176.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.2 -24.1 67.02 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.663 1.119 . . . . 0.0 113.325 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.63 123.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.252 0 O-C-N 121.031 -1.043 . . . . 0.0 113.1 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.516 0.198 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -145.85 138.16 13.58 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.502 1.521 . . . . 0.0 111.992 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -62.93 -37.16 55.93 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.645 2.897 . . . . 0.0 114.043 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.93 -53.14 58.67 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.2 -39.47 63.73 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.777 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -59.32 -51.5 69.69 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 110.377 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -60.3 -39.49 87.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.117 0.967 . . . . 0.0 112.355 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.87 -47.32 86.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.926 1.29 . . . . 0.0 110.281 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.13 -51.35 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.459 1.503 . . . . 0.0 109.833 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.55 -50.73 52.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.164 1.386 . . . . 0.0 111.358 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -56.69 -58.59 7.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.671 1.188 . . . . 0.0 110.527 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -50.4 -44.04 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.94 1.296 . . . . 0.0 112.466 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.52 -58.25 8.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.021 1.729 . . . . 0.0 110.225 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.88 -42.94 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.44 1.096 . . . . 0.0 112.422 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.2 mt -58.11 -48.81 79.06 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.669 1.122 . . . . 0.0 111.338 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.8 -45.17 90.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.529 1.132 . . . . 0.0 111.578 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.77 -49.2 78.66 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.096 0.958 . . . . 0.0 110.346 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -54.8 -50.28 68.93 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.436 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.33 -49.68 6.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.946 1.298 . . . . 0.0 113.475 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -70.22 -49.47 49.77 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.609 0.764 . . . . 0.0 111.914 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -52.35 -43.16 64.47 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.034 1.334 . . . . 0.0 111.973 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -53.74 -63.24 1.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.322 3.049 . . . . 0.0 112.06 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.25 -37.45 74.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.693 -0.629 . . . . 0.0 112.248 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.86 -55.04 33.95 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 175.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -52.64 -53.62 44.58 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.361 2.264 . . . . 0.0 111.27 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.13 -50.95 57.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.352 1.461 . . . . 0.0 112.08 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -65.67 -48.29 72.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.462 1.105 . . . . 0.0 112.279 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.47 -67.72 0.41 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.621 1.568 . . . . 0.0 113.136 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -162.62 112.06 1.41 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.776 2.03 . . . . 0.0 111.034 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.26 111.87 0.51 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.355 1.455 . . . . 0.0 110.728 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -130.91 -64.57 0.82 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.165 1.386 . . . . 0.0 111.468 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.09 -51.53 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.999 1.319 . . . . 0.0 109.904 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -145.12 157.35 44.12 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 127.544 2.338 . . . . 0.0 110.635 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.41 -74.5 0.45 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.462 1.905 . . . . 0.0 108.142 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.3 t -93.34 155.04 17.63 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.622 1.969 . . . . 0.0 111.535 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -135.97 -57.85 0.76 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.93 1.692 . . . . 0.0 113.034 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.4 130.51 93.4 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.039 1.735 . . . . 0.0 112.011 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.43 -41.95 14.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.096 2.531 . . . . 0.0 114.012 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -70.14 -9.07 54.43 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.142 1.777 . . . . 0.0 115.076 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 21.6 t -45.72 -54.34 8.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 112.353 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -52.23 -43.84 64.51 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.896 1.278 . . . . 0.0 112.457 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -60.54 -48.66 80.78 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.12 0.968 . . . . 0.0 109.853 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.29 -36.97 81.52 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.476 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 44.0 mttp -59.82 -41.92 92.38 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 120.874 1.67 . . . . 0.0 111.338 174.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.467 0.707 . . . . 0.0 110.144 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -57.65 -48.69 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.073 1.349 . . . . 0.0 110.273 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.02 -48.35 67.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.791 2.436 . . . . 0.0 112.48 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -59.2 -48.07 82.97 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.195 0.998 . . . . 0.0 111.118 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.99 -52.52 62.65 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.256 0.622 . . . . 0.0 111.658 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.3 mtp -39.36 -54.57 1.86 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.669 2.388 . . . . 0.0 114.591 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.1 p -60.21 -46.16 90.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.388 1.075 . . . . 0.0 113.114 -178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -72.96 -43.8 61.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.342 1.457 . . . . 0.0 112.698 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.5 t -61.54 135.69 57.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.384 1.874 . . . . 0.0 112.073 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -118.58 -6.8 10.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.808 1.643 . . . . 0.0 112.995 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.05 76.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.18 1.392 . . . . 0.0 112.668 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.55 -100.13 0.1 Allowed Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.496 1.522 . . . . 0.0 113.34 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -56.1 -39.79 72.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.651 1.58 . . . . 0.0 111.601 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.22 54.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.67 1.588 . . . . 0.0 115.003 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.37 127.29 32.42 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.657 1.117 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -66.37 -29.0 69.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 113.647 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.35 122.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.147 1.379 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.73 -60.46 2.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.408 1.883 . . . . 0.0 113.006 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -58.53 -41.54 85.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.969 1.307 . . . . 0.0 113.173 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.6 t -55.91 -52.22 64.88 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.234 1.414 . . . . 0.0 112.35 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.69 85.2 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.066 0.946 . . . . 0.0 111.648 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.1 m -64.33 -52.43 58.47 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.188 1.795 . . . . 0.0 114.083 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -53.07 -38.3 62.39 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.464 2.305 . . . . 0.0 114.412 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -63.51 -50.22 70.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.337 173.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -56.51 15.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.606 1.962 . . . . 0.0 113.102 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 pt -51.99 -46.27 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 118.853 0.751 . . . . 0.0 112.557 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.3 mm -69.96 -37.89 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.622 0.769 . . . . 0.0 111.63 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -53.27 -48.58 68.18 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.455 1.102 . . . . 0.0 110.041 173.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.96 -63.32 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.172 0.989 . . . . 0.0 110.466 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -54.2 -41.72 68.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -58.99 -43.39 91.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.385 -0.822 . . . . 0.0 111.81 177.4 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -76.86 -50.22 13.89 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.191 1.397 . . . . 0.0 113.634 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.0 130.53 46.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.665 1.586 . . . . 0.0 114.188 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -135.27 16.09 3.46 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.288 2.235 . . . . 0.0 111.181 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 81' ' ' ASP . 57.6 ttt180 -62.32 132.48 52.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.233 1.813 . . . . 0.0 111.011 178.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -12.79 8.21 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.454 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 8.9 p-10 -150.73 24.66 0.77 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 138.04 97.12 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 119.762 1.164 . . . . 0.0 108.513 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -60.93 -6.84 6.67 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.25 3.3 . . . . 0.0 117.003 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.03 -51.77 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.857 1.208 . . . . 0.0 110.766 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.2 m -53.35 -50.01 65.93 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.48 1.912 . . . . 0.0 112.633 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.8 -61.43 7.37 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 117.151 -1.404 . . . . 0.0 112.026 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -57.71 -40.96 75.29 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.984 1.79 . . . . 0.0 112.937 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -57.11 -45.59 83.32 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.22 1.373 . . . . 0.0 112.154 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.71 -56.98 8.12 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.112 1.365 . . . . 0.0 111.95 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -73.3 -65.39 0.82 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.244 1.818 . . . . 0.0 115.25 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.01 100.68 0.77 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.841 1.256 . . . . 0.0 112.617 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -141.89 126.61 18.03 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.179 1.791 . . . . 0.0 110.839 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.38 93.85 4.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.222 1.009 . . . . 0.0 110.283 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 94' ' ' LYS . 8.7 mmpt? -120.22 -80.73 0.62 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.926 1.69 . . . . 0.0 111.508 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.823 1.649 . . . . 0.0 111.973 178.529 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.713 0.292 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.63 166.75 24.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.168 1.787 . . . . 0.0 110.935 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 12.4 tp -144.25 79.95 1.63 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.57 2.348 . . . . 0.0 106.654 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 47.35 61.46 2.89 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.849 1.659 . . . . 0.0 113.027 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 62.3 m 51.28 60.94 3.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 108.894 -171.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -46.61 130.37 11.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.228 2.211 . . . . 0.0 113.105 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 46.36 75.1 0.13 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.433 1.893 . . . . 0.0 110.719 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.7 mt -52.65 -37.64 58.96 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.602 0.761 . . . . 0.0 111.159 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.2 -42.12 0.37 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 128.179 2.8 . . . . 0.0 114.141 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -44.66 -56.15 4.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.466 2.306 . . . . 0.0 112.373 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.3 m -84.58 -37.44 21.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.637 2.375 . . . . 0.0 112.42 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 89.4 mtp -51.32 -32.7 26.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.301 1.44 . . . . 0.0 113.258 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.55 -42.13 67.2 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.188 1.395 . . . . 0.0 112.057 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -85.38 -55.64 3.92 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.574 1.55 . . . . 0.0 111.376 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 68.1 m -58.41 -45.24 88.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.971 2.508 . . . . 0.0 115.918 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.63 -114.32 6.73 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 109.216 -1.553 . . . . 0.0 109.216 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 115' ' ' LEU . 15.8 mt -134.97 120.58 14.19 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.077 1.751 . . . . 0.0 107.207 170.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -81.29 174.53 10.59 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 122.966 2.444 . . . . 0.0 114.03 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -117.75 62.82 0.75 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.714 1.606 . . . . 0.0 108.566 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.76 170.42 12.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.438 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 77.0 p -140.76 163.64 32.36 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.873 1.269 . . . . 0.0 109.446 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 80.0 p -55.32 -41.52 72.53 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.885 -0.509 . . . . 0.0 110.647 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -55.83 -56.84 15.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.129 1.372 . . . . 0.0 111.511 175.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.1 -49.52 68.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.675 0.79 . . . . 0.0 111.423 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.75 -49.67 76.83 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.605 1.162 . . . . 0.0 111.928 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -56.01 -48.35 76.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.605 1.562 . . . . 0.0 111.369 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.65 -51.21 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.334 1.854 . . . . 0.0 112.369 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.61 -40.17 64.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.499 1.12 . . . . 0.0 113.786 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.29 75.66 52.08 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.579 1.152 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.54 136.76 75.48 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.786 2.99 . . . . 0.0 112.67 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.22 129.79 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.931 1.293 . . . . 0.0 109.164 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -54.99 -51.81 65.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.261 1.424 . . . . 0.0 113.301 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -88.27 160.1 30.38 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.784 1.659 . . . . 0.0 112.261 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -74.67 65.62 1.35 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.014 1.326 . . . . 0.0 113.927 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.08 174.65 10.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.075 2.55 . . . . 0.0 110.473 177.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -132.72 -140.59 0.2 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.224 1.41 . . . . 0.0 110.088 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.04 109.46 0.59 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -173.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.57 135.46 51.54 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 129.393 3.077 . . . . 0.0 106.972 171.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -141.16 168.67 19.22 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 56.56 -142.17 40.85 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 127.251 2.358 . . . . 0.0 115.814 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.57 -33.16 59.78 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 117.994 0.897 . . . . 0.0 113.084 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -55.5 -33.17 63.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.98 0.912 . . . . 0.0 112.0 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.18 -57.27 13.32 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.56 -46.43 80.72 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.49 1.116 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.2 -48.61 73.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.201 1.0 . . . . 0.0 110.993 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.11 83.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.01 1.324 . . . . 0.0 111.584 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.43 -45.15 92.37 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 111.967 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.5 -23.27 65.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.48 -17.74 47.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.69 118.05 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 124.355 1.062 . . . . 0.0 113.026 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.601 0.239 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.13 125.73 91.84 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.6 1.16 . . . . 0.0 113.012 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.0 -49.01 18.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.083 3.189 . . . . 0.0 114.948 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.36 -45.47 93.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.816 0.846 . . . . 0.0 111.487 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.28 -38.82 66.29 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.029 0.831 . . . . 0.0 111.618 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -57.91 -47.61 82.3 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.373 0.988 . . . . 0.0 110.812 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -56.06 -48.08 76.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.881 1.272 . . . . 0.0 111.355 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.52 -42.28 96.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.094 1.358 . . . . 0.0 111.594 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.31 -52.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.803 1.241 . . . . 0.0 109.324 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -48.35 -49.5 34.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.814 1.645 . . . . 0.0 111.133 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -55.12 -60.87 2.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.445 1.498 . . . . 0.0 110.694 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -53.81 -40.36 66.3 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.416 1.007 . . . . 0.0 112.315 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.84 -58.49 7.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.881 1.672 . . . . 0.0 109.871 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.65 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.716 1.206 . . . . 0.0 112.054 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.48 -48.41 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.28 0.946 . . . . 0.0 112.085 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.36 -43.3 92.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.421 1.489 . . . . 0.0 111.969 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -63.05 -49.82 73.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.207 1.003 . . . . 0.0 110.483 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.11 -50.39 66.99 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.901 0.88 . . . . 0.0 110.178 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.73 7.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.56 1.544 . . . . 0.0 112.744 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.05 -44.73 83.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.58 -0.7 . . . . 0.0 112.76 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -53.72 -52.0 61.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.162 0.985 . . . . 0.0 110.703 177.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.32 -52.68 64.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.459 2.703 . . . . 0.0 110.548 177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -50.12 -56.64 10.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.429 1.892 . . . . 0.0 111.028 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -50.89 -51.33 52.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.331 1.452 . . . . 0.0 111.318 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.09 -57.75 11.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.143 0.577 . . . . 0.0 111.17 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -46.04 -44.41 15.27 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.099 2.16 . . . . 0.0 114.005 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -54.92 -40.13 69.55 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.889 0.876 . . . . 0.0 112.281 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.69 -57.71 3.44 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.418 1.487 . . . . 0.0 111.486 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -147.74 133.83 19.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.47 1.908 . . . . 0.0 111.714 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.43 158.14 26.26 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 121.284 -0.885 . . . . 0.0 114.147 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -151.04 165.19 34.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.688 1.995 . . . . 0.0 111.001 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -50.3 -47.82 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.981 1.313 . . . . 0.0 112.739 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -76.91 -4.88 46.14 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.95 70.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.549 1.068 . . . . 0.0 111.362 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.36 172.31 13.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.308 1.443 . . . . 0.0 111.77 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -135.51 -53.95 0.78 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.866 1.667 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.79 119.34 59.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.881 1.672 . . . . 0.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.51 -36.59 33.41 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.261 1.974 . . . . 0.0 112.224 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -69.98 -9.47 55.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.697 1.999 . . . . 0.0 114.998 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.84 -54.54 32.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.583 1.553 . . . . 0.0 110.794 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.248 -0.908 . . . . 0.0 112.796 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -60.7 -50.62 72.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.697 0.681 . . . . 0.0 109.192 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mmt -59.77 -39.29 84.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.335 -0.841 . . . . 0.0 112.096 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -60.4 -45.16 94.57 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.67 1.577 . . . . 0.0 111.494 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -59.19 -47.73 84.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.539 0.736 . . . . 0.0 110.212 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.86 -48.51 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.459 1.503 . . . . 0.0 110.913 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.19 -50.16 67.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 128.072 2.549 . . . . 0.0 111.853 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -57.57 -42.09 82.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.465 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.61 -51.72 46.87 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.788 0.835 . . . . 0.0 111.124 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.8 mtp -42.91 -49.48 5.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.579 2.352 . . . . 0.0 114.658 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -59.87 -46.37 89.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.904 0.881 . . . . 0.0 112.588 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -74.25 -45.94 44.71 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.981 1.712 . . . . 0.0 113.293 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.444 ' HB3' HH22 ' A' ' 68' ' ' ARG . 43.3 t -60.99 133.38 56.04 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.384 1.874 . . . . 0.0 112.895 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -113.9 -8.4 13.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.803 1.641 . . . . 0.0 113.565 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.06 92.36 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.099 1.36 . . . . 0.0 112.941 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.63 -99.83 0.1 OUTLIER Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.766 1.65 . . . . 0.0 113.866 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -56.35 -43.02 78.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.636 1.175 . . . . 0.0 111.565 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.02 -18.67 60.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.884 . . . . 0.0 115.475 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.85 126.7 29.33 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.563 1.074 . . . . 0.0 110.777 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -30.35 71.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.209 1.403 . . . . 0.0 113.84 -177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.38 117.62 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.897 1.279 . . . . 0.0 110.637 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -54.07 17.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.674 1.59 . . . . 0.0 112.838 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -58.94 -46.15 88.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.282 1.433 . . . . 0.0 112.502 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.39 -48.31 81.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.926 1.29 . . . . 0.0 111.433 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.01 -57.03 14.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.291 1.036 . . . . 0.0 111.406 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.4 p -62.38 -50.74 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.432 1.893 . . . . 0.0 115.195 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.0 p -45.64 -40.45 9.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.896 2.078 . . . . 0.0 115.459 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.444 HH22 ' HB3' ' A' ' 53' ' ' CYS . 34.5 mtt180 -61.6 -33.7 74.36 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.865 -1.147 . . . . 0.0 112.809 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -49.7 36.66 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.426 1.012 . . . . 0.0 111.995 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 pt -52.41 -47.07 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.063 0.847 . . . . 0.0 112.165 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.6 -36.93 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.146 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -54.53 -53.46 54.18 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.974 0.807 . . . . 0.0 110.089 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.96 -59.99 4.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.681 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -63.52 -46.28 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.61 -0.681 . . . . 0.0 112.374 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -72.14 -40.36 68.11 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.1 t -60.78 130.08 44.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.1 1.76 . . . . 0.0 113.71 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.9 p -134.15 18.87 3.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.413 2.285 . . . . 0.0 111.734 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -60.93 146.72 45.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.235 2.214 . . . . 0.0 112.599 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -53.47 -51.26 63.3 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.165 1.386 . . . . 0.0 111.113 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -145.83 118.37 8.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.493 1.517 . . . . 0.0 111.41 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.41 142.5 38.93 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 128.339 2.656 . . . . 0.0 105.697 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.22 -13.47 16.23 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 124.234 3.289 . . . . 0.0 117.484 -173.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.48 -49.52 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 119.889 1.222 . . . . 0.0 111.038 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.8 m -53.52 -51.35 63.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.714 2.006 . . . . 0.0 113.05 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.88 -59.95 10.96 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.095 1.358 . . . . 0.0 112.96 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.05 -33.41 98.61 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.976 1.784 . . . . 0.0 113.246 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.52 -47.25 76.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.358 -0.839 . . . . 0.0 111.305 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.06 -52.75 64.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.258 1.423 . . . . 0.0 111.131 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.61 123.62 18.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.635 1.174 . . . . 0.0 113.054 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.89 118.38 24.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.896 1.679 . . . . 0.0 108.943 174.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 m -129.12 131.86 47.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.241 1.417 . . . . 0.0 111.734 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.73 142.62 57.93 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.584 1.153 . . . . 0.0 112.044 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.64 113.3 16.54 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.643 1.577 . . . . 0.0 110.585 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.166 1.786 . . . . 0.0 112.797 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.668 -0.123 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.23 113.13 5.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.435 0.694 . . . . 0.0 110.368 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.38 -47.67 0.39 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.24 1.416 . . . . 0.0 112.867 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 96.52 0.04 OUTLIER 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.733 2.013 . . . . 0.0 108.734 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 36.4 m 46.78 53.64 9.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.33 1.852 . . . . 0.0 111.915 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 140.24 4.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.919 1.688 . . . . 0.0 111.995 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 57.56 65.24 1.38 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.027 1.331 . . . . 0.0 109.613 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.74 -28.05 60.41 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.855 0.862 . . . . 0.0 111.81 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -42.33 -36.98 2.3 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 127.399 2.428 . . . . 0.0 113.624 175.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.17 -60.66 2.46 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.254 2.221 . . . . 0.0 111.866 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 58.6 m -74.4 -38.82 63.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.811 2.045 . . . . 0.0 111.611 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.16 39.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.115 1.366 . . . . 0.0 113.032 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.31 -30.29 62.34 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.155 1.382 . . . . 0.0 112.795 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -76.71 72.57 3.36 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.793 1.637 . . . . 0.0 111.333 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 33.0 m 55.66 30.84 16.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.521 2.329 . . . . 0.0 115.441 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.78 -108.97 2.66 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.574 1.083 . . . . 0.0 112.358 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 mt -90.42 137.98 27.19 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.493 1.117 . . . . 0.0 111.217 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -83.27 177.77 6.28 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.679 2.92 . . . . 0.0 113.298 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -114.03 60.46 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.161 1.384 . . . . 0.0 108.733 172.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.3 mt -68.81 158.08 35.13 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.536 1.135 . . . . 0.0 110.379 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.8 p -132.87 167.77 19.6 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.685 1.194 . . . . 0.0 111.057 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.1 p -54.76 -51.2 66.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.4 1.08 . . . . 0.0 110.429 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -51.67 -56.74 11.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.611 1.564 . . . . 0.0 111.844 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -52.88 -51.15 62.19 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.811 0.844 . . . . 0.0 111.975 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.31 -49.75 76.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.456 1.102 . . . . 0.0 112.284 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.6 -46.16 81.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.419 1.088 . . . . 0.0 111.694 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.95 -50.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.207 1.803 . . . . 0.0 112.23 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -71.61 -44.11 65.0 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.907 1.283 . . . . 0.0 114.19 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -132.18 75.87 74.01 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.843 1.257 . . . . 0.0 111.969 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.22 138.97 72.72 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.89 3.06 . . . . 0.0 112.777 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.1 mt -78.46 125.53 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -64.71 -34.98 79.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -106.68 -162.35 22.28 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.143 1.354 . . . . 0.0 114.761 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 24.3 m -61.03 -37.02 81.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.469 1.907 . . . . 0.0 115.832 -175.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -63.0 159.96 15.98 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.256 1.027 . . . . 0.0 113.204 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -134.9 -39.89 0.77 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.381 1.872 . . . . 0.0 111.135 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 9.8 mt -128.29 140.65 51.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.932 1.693 . . . . 0.0 109.543 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.35 124.7 51.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.105 2.562 . . . . 0.0 106.729 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -146.3 162.07 38.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.433 1.093 . . . . 0.0 113.875 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.09 -146.26 48.86 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.987 1.756 . . . . 0.0 114.514 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.72 -35.99 56.71 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.104 0.962 . . . . 0.0 113.409 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.14 -35.87 49.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.859 1.264 . . . . 0.0 112.122 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.69 -62.48 1.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.306 1.042 . . . . 0.0 108.805 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.41 -45.35 80.69 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.694 1.198 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -52.79 -50.26 63.95 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.394 1.078 . . . . 0.0 111.101 175.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.1 -49.53 74.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.568 1.147 . . . . 0.0 111.968 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.67 -44.37 85.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.381 0.991 . . . . 0.0 112.611 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.6 -33.58 72.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.561 . . . . 0.0 114.708 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.85 -16.0 1.58 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.164 1.913 . . . . 0.0 116.164 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -60.73 -36.92 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.35 1.46 . . . . 0.0 111.804 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.197 1.399 . . . . 0.0 114.421 -175.867 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.89 134.91 12.44 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.857 1.263 . . . . 0.0 111.797 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.18 -49.15 14.76 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.851 3.034 . . . . 0.0 114.513 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.27 -40.7 98.12 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.236 -0.915 . . . . 0.0 112.224 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.67 -38.75 82.32 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.898 0.772 . . . . 0.0 110.367 173.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -62.11 -46.3 89.66 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.637 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -53.69 -48.35 69.59 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 120.014 1.279 . . . . 0.0 111.063 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.83 -51.52 69.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.104 1.362 . . . . 0.0 111.122 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -54.73 -51.27 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.909 1.284 . . . . 0.0 110.101 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -52.05 -51.96 54.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.587 . . . . 0.0 111.555 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -53.24 -54.62 33.47 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 110.756 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.94 -39.04 87.97 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.002 0.921 . . . . 0.0 112.897 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.48 -54.31 45.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.799 1.64 . . . . 0.0 109.017 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.17 -53.91 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.636 1.174 . . . . 0.0 111.248 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -56.22 -46.22 79.6 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.64 -47.96 83.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.291 1.036 . . . . 0.0 112.498 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.81 -52.11 66.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.124 0.97 . . . . 0.0 110.809 174.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -54.6 -54.29 43.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.079 0.952 . . . . 0.0 110.613 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.0 -57.37 2.02 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.916 2.087 . . . . 0.0 114.524 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -69.85 -40.96 75.48 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.68 1.127 . . . . 0.0 113.201 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.76 -47.51 76.87 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.351 0.978 . . . . 0.0 110.263 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.3 t -62.48 -41.11 98.56 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.456 2.702 . . . . 0.0 111.357 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.29 -41.91 80.7 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.246 1.419 . . . . 0.0 111.031 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -64.03 -46.17 85.65 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.105 -0.997 . . . . 0.0 110.926 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -56.71 -49.9 73.8 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.385 1.874 . . . . 0.0 110.624 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.07 -51.74 60.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.919 1.688 . . . . 0.0 110.745 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.46 -45.26 88.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.233 1.013 . . . . 0.0 111.941 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.46 73.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.394 1.078 . . . . 0.0 112.064 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.5 -56.33 21.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.916 1.686 . . . . 0.0 112.119 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.01 138.35 3.88 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 128.305 2.86 . . . . 0.0 109.075 -174.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 107.35 3.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.809 0.844 . . . . 0.0 111.266 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.12 -63.65 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 126.77 2.028 . . . . 0.0 108.57 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -137.68 145.9 43.17 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.991 2.916 . . . . 0.0 107.369 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.0 -75.66 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.023 0.374 . . . . 0.0 111.907 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 t -148.89 -179.9 7.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.071 2.148 . . . . 0.0 112.703 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 m -72.66 -45.32 59.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.791 1.636 . . . . 0.0 110.578 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -69.23 127.77 92.8 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.354 1.062 . . . . 0.0 109.585 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.9 -33.7 41.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.266 1.977 . . . . 0.0 110.584 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -59.14 -34.5 72.14 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.733 2.013 . . . . 0.0 113.108 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.16 -49.35 66.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.659 1.584 . . . . 0.0 111.201 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -51.76 -49.77 61.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.733 1.613 . . . . 0.0 110.826 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -59.06 -52.72 64.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.456 1.102 . . . . 0.0 110.987 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -38.38 75.26 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.422 1.01 . . . . 0.0 112.039 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -63.12 -40.77 98.57 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.327 1.421 . . . . 0.0 111.706 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.11 -47.44 82.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.879 0.871 . . . . 0.0 110.227 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.17 -50.11 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.988 1.715 . . . . 0.0 110.146 175.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.29 -56.92 12.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.797 2.039 . . . . 0.0 110.829 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -51.6 -45.46 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.891 1.276 . . . . 0.0 111.897 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.89 -54.45 38.53 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.074 0.55 . . . . 0.0 111.329 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.262 14.4 ptt? -59.22 -25.05 63.67 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 p -70.88 -39.45 72.84 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.416 1.462 . . . . 0.0 111.207 174.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -73.3 -55.96 5.71 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.583 1.553 . . . . 0.0 111.288 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.52 146.57 51.38 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.253 1.421 . . . . 0.0 110.65 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -130.2 -2.33 4.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.322 1.449 . . . . 0.0 113.492 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.32 -63.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.343 1.057 . . . . 0.0 111.774 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.38 -72.88 0.45 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.203 1.382 . . . . 0.0 113.633 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -59.13 -53.4 58.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.208 1.803 . . . . 0.0 110.691 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.35 -19.95 41.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.538 1.535 . . . . 0.0 114.355 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -61.21 122.88 16.16 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.047 0.839 . . . . 0.0 110.187 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.19 -24.41 65.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.785 1.234 . . . . 0.0 113.269 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.78 115.19 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.11 1.364 . . . . 0.0 110.042 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.07 -51.89 22.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.014 1.726 . . . . 0.0 112.324 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -60.1 -44.56 94.73 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.335 1.454 . . . . 0.0 113.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.4 t -55.84 -55.85 27.6 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.262 1.392 . . . . 0.0 110.269 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.34 -46.2 65.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.101 1.36 . . . . 0.0 112.553 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -69.53 -58.86 3.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.818 1.647 . . . . 0.0 114.106 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 p -49.47 -49.02 47.22 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.023 2.129 . . . . 0.0 113.29 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -51.53 -51.82 52.16 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.439 -0.788 . . . . 0.0 110.715 174.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -55.18 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.299 1.839 . . . . 0.0 112.597 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 pt -55.79 -43.63 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.007 0.822 . . . . 0.0 112.842 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.5 mm -69.49 -40.59 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.794 0.725 . . . . 0.0 111.549 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -54.0 -50.12 67.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.334 1.053 . . . . 0.0 109.859 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -58.34 -60.79 3.22 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.753 0.821 . . . . 0.0 109.806 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -50.95 -44.48 60.45 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -65.36 -50.5 65.32 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.938 0.79 . . . . 0.0 112.167 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.23 -45.13 89.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.382 1.073 . . . . 0.0 113.226 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.57 125.22 23.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.28 1.432 . . . . 0.0 112.607 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 p -133.3 20.85 4.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.484 2.314 . . . . 0.0 110.68 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 12.3 ttm-85 -65.04 136.79 57.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.654 2.382 . . . . 0.0 110.777 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -70.84 -9.46 57.63 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -148.33 27.81 0.92 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.405 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.7 t -64.42 136.29 96.7 Favored Pre-proline 0 CA--C 1.553 1.094 0 CA-C-N 120.165 1.348 . . . . 0.0 107.771 176.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -60.7 -7.02 6.61 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.042 3.161 . . . . 0.0 116.571 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.29 -52.67 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.497 1.044 . . . . 0.0 110.685 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.54 -47.19 73.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.985 1.714 . . . . 0.0 112.393 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.23 -62.29 5.52 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -58.55 -38.43 89.79 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 121.947 1.731 . . . . 0.0 113.611 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.95 -40.27 92.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.125 -0.985 . . . . 0.0 112.002 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -64.21 -58.91 5.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.523 1.129 . . . . 0.0 109.266 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -156.08 108.5 2.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.145 1.778 . . . . 0.0 111.196 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.26 122.2 27.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.241 0.616 . . . . 0.0 110.362 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 p -65.54 156.94 31.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.559 1.144 . . . . 0.0 111.07 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.09 109.69 2.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.414 -0.804 . . . . 0.0 111.052 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -139.62 140.47 36.98 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.957 2.103 . . . . 0.0 110.301 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 124.752 1.221 . . . . 0.0 111.32 177.521 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.71 0.29 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -146.51 163.96 34.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.326 1.851 . . . . 0.0 109.946 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -145.52 -51.45 0.25 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.162 2.185 . . . . 0.0 110.312 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -31.0 37.57 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.257 1.423 . . . . 0.0 113.018 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 30.0 p -53.8 -20.78 6.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.695 1.598 . . . . 0.0 114.826 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -50.71 -37.53 41.93 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.402 1.481 . . . . 0.0 114.029 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.2 -6.99 51.08 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.99 73.95 2.19 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.323 1.42 . . . . 0.0 107.812 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.48 -24.36 1.21 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 127.267 2.365 . . . . 0.0 112.559 -172.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.26 -47.65 85.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.505 1.653 . . . . 0.0 112.208 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -116.72 1.34 12.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.47 1.108 . . . . 0.0 113.787 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 35.3 mtt -68.0 -36.46 80.04 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.264 -0.897 . . . . 0.0 110.627 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.0 -46.3 88.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.319 1.447 . . . . 0.0 111.073 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.99 -54.32 19.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.348 1.859 . . . . 0.0 113.73 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.5 m -127.07 -38.83 1.97 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.53 -111.78 3.98 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -174.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -98.65 115.86 65.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.039 0.936 . . . . 0.0 108.593 173.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -80.12 173.77 12.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.189 2.593 . . . . 0.0 113.055 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.02 66.01 0.67 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.042 1.337 . . . . 0.0 108.658 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.9 169.75 12.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.377 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 62.4 p -139.47 169.01 18.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.147 0.979 . . . . 0.0 110.577 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 6.4 p -53.59 -52.79 58.65 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 108.743 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -50.55 -57.95 6.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.758 1.623 . . . . 0.0 112.325 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.93 -50.73 65.79 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.052 0.842 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.52 -48.53 80.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.214 1.006 . . . . 0.0 111.895 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.6 -47.57 76.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.598 1.559 . . . . 0.0 111.547 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.2 -50.81 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.306 1.843 . . . . 0.0 112.193 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -73.74 -40.69 63.34 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.0 76.6 39.22 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.983 1.313 . . . . 0.0 111.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.31 135.92 72.68 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.787 2.991 . . . . 0.0 113.29 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 21.0 mt -64.27 131.01 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.621 1.169 . . . . 0.0 108.998 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.79 135.4 57.76 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.348 0.594 . . . . 0.0 111.291 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.1 -87.58 1.29 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.59 1.09 . . . . 0.0 110.59 -176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 49.0 m -142.45 142.49 32.34 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.883 1.673 . . . . 0.0 111.607 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 mtm105 -71.17 116.29 11.31 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.048 0.939 . . . . 0.0 111.268 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -151.48 134.07 15.52 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.453 2.301 . . . . 0.0 110.04 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.95 106.95 17.5 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.075 0.94 . . . . 0.0 113.446 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 131.58 48.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.495 2.718 . . . . 0.0 107.476 173.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -148.5 161.33 41.86 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.29 -146.12 48.45 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.849 1.69 . . . . 0.0 114.489 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.53 -31.12 63.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.525 -0.985 . . . . 0.0 113.392 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.06 -34.89 58.58 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.221 1.008 . . . . 0.0 111.839 174.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 32.4 mt -57.02 -61.0 2.76 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -55.2 -43.32 74.32 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.346 1.458 . . . . 0.0 112.215 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -57.54 -48.43 79.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.603 1.161 . . . . 0.0 110.457 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.19 95.72 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.527 1.131 . . . . 0.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.19 -40.47 94.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.771 1.228 . . . . 0.0 113.226 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.6 -40.01 78.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.688 1.195 . . . . 0.0 113.713 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -52.72 -17.26 1.24 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.61 -37.57 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.575 1.55 . . . . 0.0 111.843 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.643 0.259 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.84 138.71 16.24 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.005 1.722 . . . . 0.0 111.541 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -62.89 -29.38 76.2 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.295 2.663 . . . . 0.0 114.396 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.8 -41.5 74.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.936 1.244 . . . . 0.0 110.534 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.13 -34.11 65.79 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.0 0.818 . . . . 0.0 111.66 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -57.1 -46.44 82.58 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.524 1.056 . . . . 0.0 110.765 173.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -55.82 -51.31 67.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.932 1.293 . . . . 0.0 110.839 174.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -54.59 -52.45 62.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.71 1.604 . . . . 0.0 111.052 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.49 -53.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.122 1.769 . . . . 0.0 110.059 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -47.56 -54.23 12.3 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.871 1.668 . . . . 0.0 111.716 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.8 -53.58 55.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.776 -1.107 . . . . 0.0 111.647 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.62 -43.26 65.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.808 1.64 . . . . 0.0 112.869 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.87 -59.33 4.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.369 1.867 . . . . 0.0 110.146 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.44 -43.64 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.776 1.23 . . . . 0.0 112.16 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.39 -51.0 71.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.372 0.987 . . . . 0.0 111.411 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.47 -43.19 83.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.831 1.652 . . . . 0.0 112.231 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.94 -51.7 67.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.437 1.095 . . . . 0.0 110.52 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -55.91 -47.39 77.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.318 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.79 -56.16 4.01 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.565 1.546 . . . . 0.0 113.068 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -68.95 -38.55 79.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.155 -0.966 . . . . 0.0 112.764 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -57.17 -43.2 82.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.743 1.156 . . . . 0.0 111.081 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.82 -50.24 69.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.552 2.741 . . . . 0.0 109.982 173.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -52.67 -45.1 66.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.007 1.723 . . . . 0.0 111.514 175.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -57.82 -53.39 58.77 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.28 1.432 . . . . 0.0 110.117 176.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -56.52 -51.09 69.84 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.081 1.352 . . . . 0.0 111.617 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.16 -45.99 72.2 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.471 1.908 . . . . 0.0 112.09 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.82 -49.71 67.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.194 0.997 . . . . 0.0 111.603 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.9 -57.59 12.12 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.435 1.494 . . . . 0.0 112.684 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -149.35 91.58 1.85 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.876 1.67 . . . . 0.0 110.983 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.05 69.39 3.33 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.642 1.115 . . . . 0.0 111.717 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.48 -83.52 0.37 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.049 1.74 . . . . 0.0 109.999 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.58 88.92 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.424 1.089 . . . . 0.0 108.352 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 150.61 46.25 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.671 1.189 . . . . 0.0 112.168 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.34 9.2 12.39 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.15 1.38 . . . . 0.0 112.572 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.15 141.13 49.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.652 1.581 . . . . 0.0 111.457 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 m -135.32 -46.89 0.7 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.263 1.825 . . . . 0.0 111.766 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 120.52 58.39 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.762 2.025 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -64.91 -37.95 31.79 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.82 2.346 . . . . 0.0 113.733 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -72.52 -9.61 58.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.055 1.742 . . . . 0.0 115.288 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' SG ' ' NZ ' ' A' ' 44' ' ' LYS . 42.6 t -42.81 -57.06 2.95 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.488 1.915 . . . . 0.0 113.694 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -60.54 -29.73 69.32 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.6 m -62.97 -51.1 68.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.324 0.966 . . . . 0.0 108.516 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -38.17 76.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.3 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' SG ' ' A' ' 40' ' ' CYS . 43.9 mttp -61.04 -44.03 98.01 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.535 1.516 . . . . 0.0 111.848 174.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -60.6 -48.36 82.12 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 110.106 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.45 -54.39 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.832 1.653 . . . . 0.0 109.858 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -49.38 -54.05 19.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 128.523 2.729 . . . . 0.0 112.2 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -54.71 -45.15 73.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.459 1.103 . . . . 0.0 111.974 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.79 -47.96 70.49 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.629 -0.669 . . . . 0.0 110.544 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -48.02 5.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.123 2.569 . . . . 0.0 115.105 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.5 p -63.87 -51.04 66.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.817 1.247 . . . . 0.0 112.408 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -66.84 -44.82 80.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.952 1.701 . . . . 0.0 112.55 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.67 132.31 50.69 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.994 1.718 . . . . 0.0 111.553 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -118.53 -2.9 10.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.124 1.77 . . . . 0.0 112.762 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.89 82.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.995 1.318 . . . . 0.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.67 -99.59 0.08 OUTLIER Glycine 0 N--CA 1.471 1.025 0 C-N-CA 125.837 1.684 . . . . 0.0 113.166 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -55.14 -42.39 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.983 1.713 . . . . 0.0 111.412 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 -18.25 56.56 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.992 1.717 . . . . 0.0 115.543 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.91 122.26 17.79 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.009 1.277 . . . . 0.0 110.1 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -67.05 -26.35 66.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.673 1.189 . . . . 0.0 113.344 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.6 118.14 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.151 1.381 . . . . 0.0 110.254 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -61.27 2.24 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.603 1.561 . . . . 0.0 112.376 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -51.41 -44.84 62.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.924 1.69 . . . . 0.0 113.074 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.85 -51.34 70.42 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.557 1.543 . . . . 0.0 111.398 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.55 73.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.876 1.271 . . . . 0.0 112.386 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.5 p -67.45 -49.28 64.34 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -52.25 -38.97 59.69 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -61.53 -47.43 85.6 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.742 -1.224 . . . . 0.0 110.676 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -54.7 34.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.475 1.91 . . . . 0.0 112.45 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.19 -42.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.0 mm -71.47 -39.78 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.64 -0.663 . . . . 0.0 111.246 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -53.53 -47.74 69.7 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.056 0.942 . . . . 0.0 109.809 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.17 -63.17 1.36 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.249 1.02 . . . . 0.0 109.726 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.04 -46.17 52.83 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.21 -51.13 70.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.584 0.629 . . . . 0.0 112.425 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -70.35 -42.98 71.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.541 1.136 . . . . 0.0 114.062 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.47 130.79 44.11 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.543 1.537 . . . . 0.0 112.792 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -133.07 9.94 4.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.636 1.974 . . . . 0.0 111.766 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -60.77 119.61 8.51 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.463 1.505 . . . . 0.0 108.2 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -2.42 3.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.21 23.8 1.47 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.698 1.599 . . . . 0.0 114.814 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.3 135.11 93.52 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 120.127 1.33 . . . . 0.0 108.064 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -59.39 -11.83 14.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.223 3.282 . . . . 0.0 116.616 -175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.3 -51.96 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.413 1.006 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.01 -49.39 71.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.023 1.729 . . . . 0.0 113.134 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.86 -61.44 5.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-O 117.445 -1.264 . . . . 0.0 112.374 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.18 -38.76 74.27 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.965 1.777 . . . . 0.0 112.966 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.49 -45.91 90.34 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.169 0.895 . . . . 0.0 111.724 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.92 -55.47 32.59 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.703 1.201 . . . . 0.0 110.578 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -143.39 112.16 6.51 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.167 1.387 . . . . 0.0 112.652 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.24 -62.64 1.52 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.154 1.781 . . . . 0.0 107.2 172.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.1 m -76.3 134.32 39.78 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.202 1.401 . . . . 0.0 107.506 170.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -66.74 93.17 0.24 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.183 0.901 . . . . 0.0 111.939 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -70.24 132.97 46.55 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.171 1.388 . . . . 0.0 111.592 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.877 2.071 . . . . 0.0 111.766 179.718 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -63.14 119.76 10.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.83 0.852 . . . . 0.0 110.375 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 54.5 tp -141.26 -47.23 0.39 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.28 95.28 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.492 1.917 . . . . 0.0 108.809 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 56.7 m 49.29 53.33 12.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.772 1.629 . . . . 0.0 111.237 -170.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.25 138.13 4.19 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.821 1.649 . . . . 0.0 112.503 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 53.19 65.74 1.43 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.912 1.285 . . . . 0.0 109.564 -174.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -50.76 -39.81 53.24 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.777 1.231 . . . . 0.0 111.719 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -35.75 -40.98 0.37 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 128.15 2.786 . . . . 0.0 114.399 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -44.3 -59.12 2.53 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.265 2.226 . . . . 0.0 112.558 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.1 m -81.53 -33.44 31.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.798 1.639 . . . . 0.0 112.254 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 94.3 mtp -58.29 -36.16 72.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.653 0.781 . . . . 0.0 111.94 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.88 -46.85 84.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.328 1.451 . . . . 0.0 111.765 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.39 -54.02 10.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.362 1.865 . . . . 0.0 112.474 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.2 m -75.05 -41.4 59.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 127.769 2.428 . . . . 0.0 115.466 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.84 -109.15 2.73 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 107.349 -2.3 . . . . 0.0 107.349 -171.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 115' ' ' LEU . 14.7 mt -135.57 121.07 13.78 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.959 1.704 . . . . 0.0 107.295 170.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.53 -178.39 4.41 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.335 2.024 . . . . 0.0 111.765 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.17 57.61 1.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.479 1.512 . . . . 0.0 108.153 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.26 151.46 46.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.582 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 82.5 p -122.83 173.24 7.89 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.678 1.191 . . . . 0.0 110.749 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.7 p -54.11 -53.03 58.79 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 108.874 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -51.46 -57.44 8.99 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.833 1.653 . . . . 0.0 112.615 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -52.92 -51.92 59.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.012 0.824 . . . . 0.0 111.997 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 90.6 m -62.27 -47.36 84.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.128 0.971 . . . . 0.0 112.16 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.06 -45.93 75.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.06 1.344 . . . . 0.0 111.785 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -65.06 -51.48 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.387 1.875 . . . . 0.0 112.512 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.72 -33.57 46.61 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 71.9 40.46 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.474 1.51 . . . . 0.0 111.811 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.68 136.3 70.5 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.933 3.088 . . . . 0.0 113.763 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.24 129.92 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.791 1.237 . . . . 0.0 109.16 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -57.52 130.68 47.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.872 0.869 . . . . 0.0 111.3 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 93.76 -83.14 1.02 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.562 1.077 . . . . 0.0 110.751 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 33.7 m -145.84 145.33 30.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.437 1.495 . . . . 0.0 111.902 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -67.87 131.11 44.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 110.776 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -150.9 -179.24 7.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.625 2.37 . . . . 0.0 108.937 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 mt -134.34 103.87 5.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.411 1.484 . . . . 0.0 109.183 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.79 127.32 31.62 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.68 1.992 . . . . 0.0 107.896 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -135.46 160.36 38.7 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 57.35 -143.37 41.52 Favored Glycine 0 N--CA 1.47 0.904 0 C-N-CA 127.061 2.267 . . . . 0.0 115.832 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.54 -31.01 61.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.294 1.047 . . . . 0.0 113.821 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -54.8 -32.9 60.8 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.519 0.728 . . . . 0.0 111.905 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.81 -62.58 1.64 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.12 -47.43 71.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.572 1.149 . . . . 0.0 111.409 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.82 -49.54 68.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.868 1.267 . . . . 0.0 111.227 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.36 89.77 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.546 1.138 . . . . 0.0 111.524 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.92 -38.42 90.9 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.388 1.075 . . . . 0.0 113.222 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.75 -32.52 72.78 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.17 1.388 . . . . 0.0 114.528 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.41 -20.1 58.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.26 117.71 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.714 1.205 . . . . 0.0 110.658 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.754 1.222 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 140.71 15.68 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.883 1.273 . . . . 0.0 112.017 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -57.11 -38.6 95.16 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.253 2.636 . . . . 0.0 113.793 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.07 -44.82 91.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.53 1.059 . . . . 0.0 110.647 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.32 -34.86 71.07 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.519 -0.738 . . . . 0.0 111.07 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -64.72 -46.34 82.72 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.446 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -52.56 -50.98 61.86 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.855 1.207 . . . . 0.0 111.082 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.12 -51.03 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.356 1.463 . . . . 0.0 111.427 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.6 -52.9 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.338 1.455 . . . . 0.0 110.163 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -49.25 -54.38 17.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.769 1.627 . . . . 0.0 111.298 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -53.48 -60.19 3.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.282 1.433 . . . . 0.0 110.576 177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -55.08 -38.93 68.71 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -55.18 -53.78 51.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.298 1.439 . . . . 0.0 109.492 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.33 -46.44 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.719 1.208 . . . . 0.0 111.269 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.78 -49.27 68.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.926 0.89 . . . . 0.0 111.627 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.0 tp -62.61 -45.19 94.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.147 1.379 . . . . 0.0 112.763 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.33 -47.62 83.15 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.928 -0.483 . . . . 0.0 110.298 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -57.52 -49.18 77.17 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.306 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.92 -50.87 10.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.016 1.726 . . . . 0.0 113.793 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -62.84 -48.41 79.17 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.402 -0.811 . . . . 0.0 111.362 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -42.64 75.85 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 119.178 0.899 . . . . 0.0 112.296 175.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.12 -54.62 37.01 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.266 2.226 . . . . 0.0 109.862 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -56.94 -54.3 48.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.018 1.327 . . . . 0.0 111.152 174.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -49.2 -53.0 23.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.079 2.152 . . . . 0.0 111.839 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.67 -57.17 13.89 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 0.0 110.682 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -53.17 -47.08 69.11 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.216 1.406 . . . . 0.0 112.072 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -47.98 83.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.66 1.184 . . . . 0.0 111.538 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -51.46 67.96 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.665 1.186 . . . . 0.0 112.324 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -147.32 118.83 7.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.453 1.901 . . . . 0.0 110.945 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.96 153.47 52.13 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 123.791 0.71 . . . . 0.0 112.978 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.51 156.6 46.28 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.165 1.386 . . . . 0.0 112.375 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -53.01 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.123 0.969 . . . . 0.0 109.014 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -154.51 96.8 1.94 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.719 2.007 . . . . 0.0 110.239 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -51.54 8.73 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.707 0.803 . . . . 0.0 111.17 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.81 139.16 57.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.009 2.124 . . . . 0.0 113.724 -177.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -133.81 25.14 4.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.642 1.977 . . . . 0.0 112.825 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.6 mt -128.0 107.36 20.04 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 126.428 1.891 . . . . 0.0 109.688 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -46.04 -50.52 9.76 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 124.158 3.238 . . . . 0.0 115.137 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -77.73 0.13 24.73 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.44 -41.89 86.13 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.229 0.922 . . . . 0.0 108.932 170.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -50.0 -49.6 50.1 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.122 1.369 . . . . 0.0 110.771 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 m -55.63 -57.44 11.97 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.385 1.474 . . . . 0.0 109.762 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mmt -57.85 -43.5 85.93 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -59.58 -45.1 92.86 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.753 1.615 . . . . 0.0 112.029 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -61.17 -49.88 75.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.632 0.773 . . . . 0.0 110.461 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.47 -49.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.188 1.795 . . . . 0.0 111.242 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.95 -58.4 6.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.201 2.601 . . . . 0.0 110.361 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -50.9 -48.82 60.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.421 1.088 . . . . 0.0 111.559 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.23 -54.12 48.22 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.479 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -56.31 -29.62 61.48 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -39.25 92.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.884 1.22 . . . . 0.0 112.146 174.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -78.03 -52.53 8.64 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.234 1.414 . . . . 0.0 111.442 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.5 t -57.31 135.41 56.48 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.024 2.13 . . . . 0.0 111.109 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -114.36 -0.68 13.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.58 1.152 . . . . 0.0 112.659 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.06 -76.01 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.75 1.22 . . . . 0.0 111.768 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.34 -66.34 1.94 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.928 1.252 . . . . 0.0 112.297 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.63 -49.86 73.74 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.615 1.966 . . . . 0.0 111.548 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.11 -12.15 26.98 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.216 1.807 . . . . 0.0 115.202 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -63.0 132.85 53.41 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.244 0.929 . . . . 0.0 110.62 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.03 -34.23 77.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.241 1.416 . . . . 0.0 113.662 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.57 124.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.029 1.332 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.28 1.79 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.11 1.364 . . . . 0.0 112.694 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -54.63 -35.58 63.61 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.348 1.859 . . . . 0.0 114.844 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.28 -46.33 69.24 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.874 2.07 . . . . 0.0 111.429 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.18 -55.57 17.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.354 1.061 . . . . 0.0 111.261 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -53.91 -56.32 18.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.185 1.794 . . . . 0.0 113.451 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 p -53.22 -39.41 63.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.06 1.744 . . . . 0.0 113.34 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.8 -50.45 68.92 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.313 0.96 . . . . 0.0 109.539 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -54.62 25.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.117 1.767 . . . . 0.0 113.414 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.32 -45.94 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 118.806 0.73 . . . . 0.0 112.645 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.43 -39.33 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.428 0.691 . . . . 0.0 111.534 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.1 m -54.24 -51.41 64.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.948 1.299 . . . . 0.0 110.05 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -58.72 -60.49 3.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.599 0.76 . . . . 0.0 109.816 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.435 ' CH2' HG22 ' B' ' 148' ' ' VAL . 10.8 t90 -51.39 -45.05 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -45.24 93.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 111.747 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -73.78 -49.49 25.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.063 1.345 . . . . 0.0 113.165 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.32 125.73 24.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 112.988 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -135.43 24.63 3.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.545 1.938 . . . . 0.0 110.395 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.406 ' HE ' ' CB ' ' A' ' 82' ' ' CYS . 18.5 ttm-85 -61.96 142.31 57.53 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.696 2.398 . . . . 0.0 111.607 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -65.04 -19.4 65.97 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.85 31.36 0.71 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.406 ' CB ' ' HE ' ' A' ' 79' ' ' ARG . 1.4 t -65.33 136.53 96.41 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 120.406 1.457 . . . . 0.0 107.317 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -59.99 -11.73 16.43 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 124.026 3.151 . . . . 0.0 116.741 -175.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.3 -49.54 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.497 1.044 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 m -56.17 -48.21 76.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.801 1.64 . . . . 0.0 112.761 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.95 -61.94 4.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.061 -1.447 . . . . 0.0 112.838 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -58.04 -35.62 98.61 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.497 2.131 . . . . 0.0 113.748 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.45 -48.48 64.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.006 0.923 . . . . 0.0 111.793 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -60.8 -51.63 68.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.122 1.769 . . . . 0.0 111.473 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -131.69 95.0 3.62 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.178 1.791 . . . . 0.0 110.922 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.71 103.13 11.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -62.3 107.98 1.01 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.828 1.251 . . . . 0.0 112.018 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -147.69 121.52 9.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.18 1.792 . . . . 0.0 110.936 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.99 112.17 8.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.427 1.891 . . . . 0.0 109.494 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.38 2.272 . . . . 0.0 111.507 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.579 0.228 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -145.59 161.56 39.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.877 1.671 . . . . 0.0 111.156 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 49.9 tp -113.46 -42.67 3.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.032 1.733 . . . . 0.0 112.56 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.52 41.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.493 1.117 . . . . 0.0 112.754 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 91.8 m -130.08 76.91 1.75 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.743 2.017 . . . . 0.0 106.811 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -38.59 -47.88 1.37 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.581 2.352 . . . . 0.0 112.597 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.67 96.38 4.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 127.009 2.124 . . . . 0.0 107.458 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.89 -37.48 76.69 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.387 0.675 . . . . 0.0 111.744 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -40.61 -39.7 1.87 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 127.085 2.279 . . . . 0.0 113.827 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -42.5 -62.0 1.08 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.124 2.169 . . . . 0.0 112.487 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 75.0 m -77.12 -40.77 44.58 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.769 2.027 . . . . 0.0 112.223 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 90.5 mtp -56.23 -39.13 72.04 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.166 0.986 . . . . 0.0 112.004 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.94 -42.72 90.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.579 1.552 . . . . 0.0 112.927 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.28 -46.31 80.98 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.0 m -135.18 -6.5 2.32 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 117.624 2.453 . . . . 0.0 117.624 -172.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.91 -104.26 1.29 Allowed Glycine 0 N--CA 1.47 0.908 0 CA-C-N 120.195 1.362 . . . . 0.0 111.342 -178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' B' ' 115' ' ' LEU . 0.2 OUTLIER -139.54 118.12 8.84 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.716 1.606 . . . . 0.0 108.858 178.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -81.43 -173.88 1.98 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.989 3.126 . . . . 0.0 112.671 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -123.32 66.21 1.0 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.911 1.684 . . . . 0.0 108.315 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.24 168.55 15.56 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.092 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 70.0 p -136.98 174.2 10.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.328 1.051 . . . . 0.0 111.432 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 2.9 p -52.3 -55.5 21.01 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.103 1.361 . . . . 0.0 109.0 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -50.23 -61.54 2.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.43 1.492 . . . . 0.0 112.359 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.74 -50.82 65.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.9 0.773 . . . . 0.0 112.869 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.89 -49.9 73.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.569 0.748 . . . . 0.0 112.168 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.61 -42.74 83.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.778 1.231 . . . . 0.0 111.602 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.94 -51.26 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.988 1.715 . . . . 0.0 111.871 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -71.9 -39.18 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -135.36 74.59 60.61 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.392 1.077 . . . . 0.0 112.215 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.14 140.11 86.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.911 3.074 . . . . 0.0 113.774 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 31.6 mt -69.45 128.42 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.791 1.236 . . . . 0.0 108.241 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.98 -47.2 84.19 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -83.29 176.05 52.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.675 1.131 . . . . 0.0 113.189 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -65.04 -20.04 66.29 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.102 1.361 . . . . 0.0 114.26 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.39 161.01 17.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -127.7 -140.23 0.25 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.01 1.324 . . . . 0.0 109.636 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.73 111.75 1.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.646 1.566 . . . . 0.0 114.245 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 135.98 57.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 130.346 3.458 . . . . 0.0 108.866 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -125.21 159.24 32.06 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.867 1.802 . . . . 0.0 115.867 -173.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 38.54 -128.94 1.82 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 128.379 2.895 . . . . 0.0 117.642 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.03 -38.6 57.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.977 1.311 . . . . 0.0 113.747 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -56.54 -31.7 64.4 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.931 0.893 . . . . 0.0 112.138 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.75 -60.96 2.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.149 0.886 . . . . 0.0 108.899 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.01 -40.8 81.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.641 0.776 . . . . 0.0 111.708 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -57.36 -48.83 78.0 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.873 0.869 . . . . 0.0 110.852 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.98 86.92 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.46 1.104 . . . . 0.0 111.046 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.1 -38.76 92.46 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.097 -1.002 . . . . 0.0 113.037 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.56 -31.68 73.01 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.168 1.387 . . . . 0.0 113.717 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -56.87 -23.36 43.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.685 1.194 . . . . 0.0 114.091 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . 0.435 HG22 ' CH2' ' A' ' 74' ' ' TRP . 33.2 t -62.35 -48.75 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.366 1.867 . . . . 0.0 112.199 179.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . 0.28 0.3 OUTLIER . . . . . 0 C--O 1.253 1.281 0 C-N-CA 127.935 2.494 . . . . 0.0 113.493 -172.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -140.3 133.28 14.88 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.351 1.46 . . . . 0.0 111.827 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.68 -45.67 26.97 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.169 3.246 . . . . 0.0 115.086 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.12 -43.64 98.57 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 111.47 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -62.85 -30.69 71.69 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.374 -0.828 . . . . 0.0 111.847 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -65.21 -40.43 94.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.286 0.948 . . . . 0.0 110.287 172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -59.08 -44.05 91.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.189 0.996 . . . . 0.0 110.809 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.27 -52.05 67.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -55.08 -51.99 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.744 1.217 . . . . 0.0 110.118 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.95 -53.8 14.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.042 1.737 . . . . 0.0 111.7 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -53.72 -59.01 5.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.49 1.116 . . . . 0.0 110.484 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.03 -38.71 68.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.17 -58.97 5.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.096 1.758 . . . . 0.0 109.155 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.705 1.202 . . . . 0.0 111.942 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.6 mt -57.94 -48.24 80.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.617 1.099 . . . . 0.0 112.153 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.3 -45.5 93.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.713 1.205 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.69 -48.84 79.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.941 0.497 . . . . 0.0 110.602 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.42 -52.33 59.73 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.351 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.02 -47.63 3.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.546 1.538 . . . . 0.0 114.686 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -78.63 -46.65 18.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.821 1.248 . . . . 0.0 112.31 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -50.96 -51.2 54.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.916 1.286 . . . . 0.0 110.731 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.56 -56.55 8.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.469 3.108 . . . . 0.0 111.221 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -53.7 -51.45 63.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.207 1.003 . . . . 0.0 110.812 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -55.03 -50.46 69.0 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -57.5 -51.67 68.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 111.289 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -57.33 -46.77 82.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.295 1.438 . . . . 0.0 111.746 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -64.24 -46.65 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.344 1.058 . . . . 0.0 111.716 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.99 75.35 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.227 1.411 . . . . 0.0 112.405 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.49 97.24 3.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.085 1.354 . . . . 0.0 111.23 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.8 76.14 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.502 1.049 . . . . 0.0 111.236 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -138.75 -79.85 0.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.983 1.713 . . . . 0.0 109.599 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -81.24 127.87 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -55.59 121.16 8.45 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.453 0.701 . . . . 0.0 110.463 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -49.49 74.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.956 0.902 . . . . 0.0 112.95 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.15 146.23 54.59 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.85 1.66 . . . . 0.0 115.113 -174.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.3 p -135.73 -58.87 0.77 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.445 2.298 . . . . 0.0 111.998 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.2 138.44 94.47 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.706 2.002 . . . . 0.0 112.121 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.41 -55.05 0.4 Allowed 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.892 2.395 . . . . 0.0 113.823 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -71.76 3.86 3.76 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 t -50.49 -48.22 56.87 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.122 0.874 . . . . 0.0 110.332 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -50.56 -41.72 54.51 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 174.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -58.73 -56.2 25.22 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 108.522 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -36.16 73.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.077 . . . . 0.0 112.957 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -63.52 -46.56 85.45 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.25 1.841 . . . . 0.0 112.046 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -57.68 -47.47 82.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.485 0.714 . . . . 0.0 109.865 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.52 -58.5 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.152 1.781 . . . . 0.0 110.056 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -44.21 -56.2 4.28 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 128.945 2.898 . . . . 0.0 112.13 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -51.55 -57.89 7.83 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.281 1.032 . . . . 0.0 111.163 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -57.11 -46.72 82.39 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -45.93 19.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.999 2.12 . . . . 0.0 112.954 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -43.7 96.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.734 0.813 . . . . 0.0 112.91 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -71.99 -41.7 67.33 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.377 1.071 . . . . 0.0 112.308 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.406 ' CB ' HH22 ' A' ' 68' ' ' ARG . 18.8 t -60.52 146.9 43.25 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.143 2.177 . . . . 0.0 111.991 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -131.92 -1.14 3.76 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.695 1.598 . . . . 0.0 112.982 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.46 -69.8 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.288 1.035 . . . . 0.0 111.697 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.0 -73.14 1.29 Allowed Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.875 1.226 . . . . 0.0 112.743 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -56.76 -44.93 82.24 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.993 1.717 . . . . 0.0 111.748 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.22 -5.54 24.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.5 t -66.6 124.94 24.21 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.223 1.374 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.73 -30.7 71.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.828 1.251 . . . . 0.0 113.504 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.33 113.99 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.832 1.253 . . . . 0.0 110.042 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.03 -56.17 6.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.444 1.897 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -61.57 -44.69 96.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.094 1.357 . . . . 0.0 113.52 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.26 -50.69 70.63 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.307 1.443 . . . . 0.0 110.835 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.1 13.55 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.01 . . . . 0.0 110.234 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -57.54 -51.77 68.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.822 2.449 . . . . 0.0 115.924 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 p -53.38 -30.27 38.93 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.208 1.803 . . . . 0.0 114.867 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.406 HH22 ' CB ' ' A' ' 53' ' ' CYS . 80.8 mtt85 -59.71 -54.4 46.84 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.088 -1.008 . . . . 0.0 111.812 173.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.0 -48.64 70.2 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.209 1.004 . . . . 0.0 113.362 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 pt -53.71 -44.7 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.093 0.86 . . . . 0.0 112.203 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.2 mm -73.5 -42.05 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.56 0.744 . . . . 0.0 111.494 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 m -52.67 -52.44 55.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.782 1.233 . . . . 0.0 110.648 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -58.96 -60.9 3.13 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.299 1.04 . . . . 0.0 109.431 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -48.68 -46.64 40.58 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -64.73 -47.84 76.79 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.661 -0.649 . . . . 0.0 112.492 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -67.19 -40.88 86.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.4 t -57.36 132.97 54.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.077 1.751 . . . . 0.0 113.86 -175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 p -131.63 4.76 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 127.286 2.234 . . . . 0.0 111.963 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.84 120.43 9.55 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.458 1.503 . . . . 0.0 108.98 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -2.84 6.95 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.14 23.86 1.66 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.539 1.535 . . . . 0.0 114.696 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.94 136.52 95.12 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 119.682 1.128 . . . . 0.0 108.301 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -56.77 -21.53 40.34 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.78 2.987 . . . . 0.0 116.491 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.63 -50.2 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.493 1.042 . . . . 0.0 111.376 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 m -55.91 -48.83 74.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.095 1.758 . . . . 0.0 112.8 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.08 -62.94 2.77 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.321 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -58.15 -41.28 68.98 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.075 1.85 . . . . 0.0 113.305 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 -44.26 91.66 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.405 -0.809 . . . . 0.0 111.951 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -63.82 -57.19 10.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.846 1.258 . . . . 0.0 110.678 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -146.27 122.82 11.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.717 1.607 . . . . 0.0 112.322 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.87 115.99 13.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.865 1.266 . . . . 0.0 110.123 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.9 m -63.64 161.27 15.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.412 1.085 . . . . 0.0 110.948 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.16 112.35 1.87 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.378 -0.826 . . . . 0.0 111.681 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.72 153.8 44.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.194 2.197 . . . . 0.0 110.749 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.545 1.938 . . . . 0.0 110.335 178.41 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.673 0.273 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -145.61 160.56 41.49 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.266 1.826 . . . . 0.0 110.65 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -116.53 -47.23 2.74 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.919 1.687 . . . . 0.0 111.121 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -39.51 -57.59 1.42 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.661 1.985 . . . . 0.0 113.069 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 77.3 m -132.52 68.22 1.51 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -44.59 137.06 4.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.574 1.55 . . . . 0.0 112.015 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 mp 51.7 68.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.035 1.334 . . . . 0.0 110.213 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.48 -35.38 60.51 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.546 0.739 . . . . 0.0 111.153 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -39.37 -36.91 0.68 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 127.548 2.499 . . . . 0.0 113.9 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -47.29 -63.75 0.96 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.701 2.0 . . . . 0.0 112.032 174.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 66.2 m -71.03 -38.79 72.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.44 1.896 . . . . 0.0 112.173 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 81.6 mtp -60.22 -35.55 75.69 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.681 0.792 . . . . 0.0 111.459 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.43 -47.39 76.38 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.948 1.299 . . . . 0.0 111.388 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.26 -49.22 76.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.158 1.383 . . . . 0.0 114.319 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -127.88 -5.73 5.65 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 -171.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 67.68 -109.86 3.14 Favored Glycine 0 N--CA 1.47 0.903 0 CA-C-N 120.06 1.3 . . . . 0.0 111.259 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 115' ' ' LEU . 0.2 OUTLIER -128.41 112.96 19.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.501 1.52 . . . . 0.0 107.831 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.38 173.39 14.36 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.03 2.487 . . . . 0.0 114.049 -173.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -119.9 69.07 0.84 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.101 1.76 . . . . 0.0 107.635 172.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.22 173.01 6.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.329 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 71.2 p -138.73 168.6 19.44 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.265 -0.897 . . . . 0.0 110.353 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 5.1 p -53.95 -53.14 56.86 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.803 0.841 . . . . 0.0 109.384 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.75 -56.3 14.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.383 1.473 . . . . 0.0 112.024 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.69 -52.95 44.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.474 0.71 . . . . 0.0 111.859 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 83.4 m -61.74 -48.87 78.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.719 0.808 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.12 -37.37 69.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.937 1.295 . . . . 0.0 112.436 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.91 -53.0 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.841 2.057 . . . . 0.0 112.456 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -75.82 -32.79 59.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.092 1.357 . . . . 0.0 114.185 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.22 72.63 59.16 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.204 1.402 . . . . 0.0 110.85 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.53 143.11 95.34 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.314 2.676 . . . . 0.0 111.862 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.4 mt -65.23 145.21 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 124.169 0.987 . . . . 0.0 108.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -55.94 -47.83 76.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.831 0.852 . . . . 0.0 112.374 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -92.24 -163.68 38.0 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.085 1.326 . . . . 0.0 111.153 175.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 37.7 m -58.43 134.0 56.26 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.195 -1.18 . . . . 0.0 110.716 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -57.31 115.47 2.71 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.205 0.602 . . . . 0.0 111.359 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -148.02 128.05 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.363 2.265 . . . . 0.0 108.721 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 mt -88.22 104.2 16.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.958 0.885 . . . . 0.0 112.826 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 118.19 7.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.868 2.467 . . . . 0.0 107.759 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -150.69 166.73 29.48 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.116 0.966 . . . . 0.0 113.192 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.62 -148.54 33.87 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.097 1.332 . . . . 0.0 112.934 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.9 -32.51 61.06 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.993 1.397 . . . . 0.0 113.015 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -51.18 -34.52 31.98 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.948 1.299 . . . . 0.0 112.402 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.86 -62.04 2.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.147 0.979 . . . . 0.0 109.298 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.48 -40.71 75.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.22 1.008 . . . . 0.0 111.298 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.2 -47.34 83.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.688 1.195 . . . . 0.0 110.677 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.13 -46.54 83.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.458 1.103 . . . . 0.0 111.68 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.65 -34.28 77.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.619 1.167 . . . . 0.0 112.095 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.64 -42.32 98.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.551 1.541 . . . . 0.0 113.06 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -52.59 -17.95 1.51 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.44 -37.05 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.921 1.688 . . . . 0.0 111.857 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.751 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.492 0.187 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -142.24 136.61 15.0 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.623 1.569 . . . . 0.0 111.673 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -52.96 -54.27 5.37 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.558 2.838 . . . . 0.0 113.559 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -62.35 -40.42 96.35 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.38 -0.825 . . . . 0.0 112.158 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.02 -38.2 72.81 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.03 1.286 . . . . 0.0 110.937 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -62.88 -46.04 89.71 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.337 0.972 . . . . 0.0 110.494 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.61 -47.07 73.86 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.603 1.161 . . . . 0.0 111.468 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.95 -48.15 82.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.58 1.552 . . . . 0.0 111.16 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.66 -49.57 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.164 1.386 . . . . 0.0 110.157 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -51.13 -51.23 55.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.654 1.582 . . . . 0.0 110.945 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -53.91 50.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.034 0.934 . . . . 0.0 110.722 175.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -58.53 -40.83 84.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.57 -55.7 28.88 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.134 1.774 . . . . 0.0 108.826 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.34 -53.64 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.27 1.428 . . . . 0.0 112.57 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.03 -42.2 80.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.952 1.251 . . . . 0.0 111.899 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.17 -47.63 83.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 0.0 111.797 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.0 mt -58.77 -50.7 72.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.932 0.893 . . . . 0.0 110.097 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.5 -51.42 62.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.115 1.366 . . . . 0.0 110.685 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.08 -45.54 8.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.242 1.417 . . . . 0.0 113.909 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -72.23 -49.13 37.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.328 1.051 . . . . 0.0 111.835 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -52.65 -45.2 66.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.968 1.307 . . . . 0.0 111.087 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.33 -48.44 78.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.475 2.71 . . . . 0.0 111.408 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.08 -43.98 78.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.019 -1.051 . . . . 0.0 111.119 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -62.61 -50.24 72.05 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.127 0.971 . . . . 0.0 110.813 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -51.92 -53.99 34.62 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.18 1.792 . . . . 0.0 111.368 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -50.89 -50.33 57.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.233 1.813 . . . . 0.0 112.091 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.98 -46.34 88.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.987 1.315 . . . . 0.0 111.825 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.46 -57.48 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.959 1.304 . . . . 0.0 112.02 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -152.21 111.23 3.85 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.34 1.856 . . . . 0.0 110.775 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.26 178.78 44.25 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.987 1.28 . . . . 0.0 112.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -150.21 -76.46 0.15 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.007 1.323 . . . . 0.0 110.731 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.72 -66.58 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.852 1.261 . . . . 0.0 108.609 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -146.54 116.09 7.14 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.804 2.042 . . . . 0.0 110.471 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -7.46 53.63 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.655 1.182 . . . . 0.0 111.386 172.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.98 169.49 8.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 129.75 3.22 . . . . 0.0 115.251 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -137.16 -12.13 1.66 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.15 2.58 . . . . 0.0 114.338 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.02 128.54 25.33 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-N 120.124 1.329 . . . . 0.0 113.503 -172.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.87 -54.52 5.32 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.097 3.198 . . . . 0.0 115.536 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -80.22 1.68 27.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.3 t -49.12 -46.06 44.44 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.514 1.052 . . . . 0.0 111.38 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -49.62 -47.63 49.56 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.444 1.898 . . . . 0.0 112.472 174.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 m -56.46 -54.24 48.09 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.671 1.188 . . . . 0.0 109.404 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -39.43 88.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.127 -0.94 . . . . 0.0 112.652 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.27 -47.54 85.54 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.876 1.671 . . . . 0.0 111.346 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -57.04 -47.84 79.97 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.164 0.586 . . . . 0.0 110.251 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.12 -48.56 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.587 1.555 . . . . 0.0 111.169 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -53.31 -49.71 66.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.795 2.438 . . . . 0.0 111.845 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -59.45 -43.6 93.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.127 . . . . 0.0 111.751 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.66 -52.41 45.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.565 0.746 . . . . 0.0 111.212 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE3' HD22 ' B' ' 141' ' ' LEU . 26.4 mtp -39.97 -52.48 2.45 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.341 2.657 . . . . 0.0 114.424 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 p -59.06 -47.05 86.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.052 0.941 . . . . 0.0 112.774 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -72.88 -43.14 62.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.742 1.617 . . . . 0.0 112.946 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' HB3' HH22 ' A' ' 68' ' ' ARG . 45.7 t -60.11 120.79 10.4 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.646 1.978 . . . . 0.0 113.317 -178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -101.16 -10.48 20.38 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.477 1.511 . . . . 0.0 113.577 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.78 88.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.281 1.432 . . . . 0.0 113.499 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.1 -107.82 1.63 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.749 1.166 . . . . 0.0 112.761 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -57.15 -40.91 78.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.16 62.37 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.07 127.19 30.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.81 1.186 . . . . 0.0 110.79 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.78 -30.49 71.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.259 1.424 . . . . 0.0 113.817 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.54 118.47 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 110.622 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.63 -57.02 6.88 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.943 1.697 . . . . 0.0 113.107 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.79 -43.85 94.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.537 1.535 . . . . 0.0 113.116 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.76 -47.08 83.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.348 1.459 . . . . 0.0 111.901 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -56.07 18.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.497 0.719 . . . . 0.0 110.026 175.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.2 m -54.39 -53.37 54.89 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.472 2.309 . . . . 0.0 115.145 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -45.12 -45.07 11.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.405 2.282 . . . . 0.0 114.438 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 HH22 ' HB3' ' A' ' 53' ' ' CYS . 27.6 mtt180 -55.78 -41.01 73.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.765 0.826 . . . . 0.0 111.752 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.97 -51.45 54.98 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.802 1.183 . . . . 0.0 112.451 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 pt -53.58 -44.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.652 1.114 . . . . 0.0 112.205 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mm -70.64 -39.15 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -53.94 -53.63 50.07 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.641 0.655 . . . . 0.0 110.078 173.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -54.16 -64.78 0.72 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.254 1.021 . . . . 0.0 111.137 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -50.37 -48.12 55.93 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -66.78 -41.68 87.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -71.71 -41.02 69.09 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.3 t -57.14 129.7 42.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.277 1.831 . . . . 0.0 113.467 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.7 p -127.0 12.48 7.2 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.068 2.147 . . . . 0.0 112.155 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -64.63 139.58 58.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.985 1.714 . . . . 0.0 110.943 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -72.01 -23.21 61.36 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.98 34.99 1.56 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.55 136.96 96.95 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.69 -10.01 12.99 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.381 3.387 . . . . 0.0 117.119 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -126.42 -52.73 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.311 1.045 . . . . 0.0 110.267 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 m -53.83 -46.44 71.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.545 1.538 . . . . 0.0 112.328 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.66 -62.56 5.63 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-O 117.283 -1.341 . . . . 0.0 112.307 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -53.24 -41.02 75.52 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.081 1.779 . . . . 0.0 112.67 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.18 -57.92 10.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.756 0.823 . . . . 0.0 112.269 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -58.82 -35.96 73.73 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.953 1.252 . . . . 0.0 112.847 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -65.97 -51.56 57.38 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.158 1.383 . . . . 0.0 111.199 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.05 94.99 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.168 . . . . 0.0 112.499 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.9 m -56.07 120.3 7.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.094 1.757 . . . . 0.0 111.961 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -73.12 93.14 1.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.547 0.739 . . . . 0.0 111.001 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -139.02 155.48 47.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.497 2.319 . . . . 0.0 110.981 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.279 1.431 . . . . 0.0 112.416 178.559 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.029 0.442 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -148.8 107.91 3.9 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.68 1.592 . . . . 0.0 109.946 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -154.89 -59.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.791 1.636 . . . . 0.0 109.78 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 35.04 60.33 0.67 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.287 2.635 . . . . 0.0 114.331 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' CYS . . . . . . . . . . . . . 36.5 m 45.3 34.18 1.41 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.517 2.327 . . . . 0.0 114.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 0.4 81.16 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 130.577 3.551 . . . . 0.0 115.223 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 26.4 mt -75.55 144.41 41.91 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.342 1.457 . . . . 0.0 111.727 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.0 128.13 39.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.226 1.811 . . . . 0.0 109.519 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.83 32.94 84.39 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.157 0.884 . . . . 0.0 111.17 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -39.55 83.9 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.629 1 C-N-CA 131.726 4.01 . . . . 0.0 114.252 -174.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 68.2 m 57.86 4.82 0.3 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.291 1.436 . . . . 0.0 114.217 -173.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 21.2 mmt -67.73 -36.35 80.43 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.068 1.747 . . . . 0.0 109.079 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.18 -41.36 75.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.797 2.039 . . . . 0.0 111.097 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.14 -60.94 2.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.519 1.527 . . . . 0.0 111.257 175.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.2 p -164.96 -54.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.614 1.566 . . . . 0.0 112.543 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.02 -60.71 0.19 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.201 2.334 . . . . 0.0 111.163 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.11 141.13 18.8 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.287 1.835 . . . . 0.0 111.081 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -83.65 177.42 6.29 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.709 2.939 . . . . 0.0 113.004 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -120.33 66.22 0.83 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.743 1.617 . . . . 0.0 108.32 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 79.9 mt -68.28 165.37 18.67 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 66.4 p -137.9 166.65 23.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.494 1.118 . . . . 0.0 110.436 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 11.5 p -52.22 -50.31 62.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.836 0.855 . . . . 0.0 110.265 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -51.52 -57.71 8.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.651 1.58 . . . . 0.0 111.882 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -52.41 -52.38 54.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.693 0.797 . . . . 0.0 112.119 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.04 -50.15 75.17 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.304 1.042 . . . . 0.0 112.417 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -49.61 73.22 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.426 1.091 . . . . 0.0 111.749 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.9 t -59.98 -52.39 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.573 1.949 . . . . 0.0 112.492 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -73.48 -37.06 65.87 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.62 75.15 69.24 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.976 0.91 . . . . 0.0 112.484 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -51.62 126.96 21.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.26 3.306 . . . . 0.0 113.416 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 18.8 mt -71.81 129.59 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.31 1.444 . . . . 0.0 110.237 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.64 158.39 32.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 111.85 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.65 -135.09 26.51 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 120.803 -1.185 . . . . 0.0 112.97 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -134.72 66.14 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.603 1.161 . . . . 0.0 113.057 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -142.84 162.52 35.24 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.323 2.249 . . . . 0.0 110.135 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -141.56 -44.98 0.36 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.85 0.86 . . . . 0.0 113.244 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.12 135.64 54.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.505 1.122 . . . . 0.0 110.868 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.02 114.84 21.51 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 130.143 3.377 . . . . 0.0 105.239 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -148.32 166.71 27.22 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 -142.28 35.17 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.039 1.304 . . . . 0.0 112.956 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.77 -35.77 61.66 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.143 0.972 . . . . 0.0 112.769 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.31 -38.4 52.76 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.007 1.323 . . . . 0.0 112.389 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.423 HD22 ' HE3' ' A' ' 50' ' ' MET . 27.7 mt -54.88 -63.52 1.13 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.504 1.121 . . . . 0.0 109.228 177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.27 -43.23 70.83 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.679 1.191 . . . . 0.0 111.519 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -56.18 -49.68 73.34 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.302 1.041 . . . . 0.0 110.935 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.77 78.1 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 112.099 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 61.3 mt -58.93 -42.05 88.82 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.556 1.071 . . . . 0.0 111.799 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.92 -27.93 69.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.175 1.39 . . . . 0.0 114.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.31 -13.64 14.0 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.62 -59.62 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.877 1.271 . . . . 0.0 110.048 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.144 0 C-N-CA 128.347 2.659 . . . . 0.0 114.701 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_