data_6m56_residue ############################ # Computer software used # ############################ 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 6m56 _Structure_validation_residue.Date_analyzed 2020-09-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.232 0.207 0 CA-C-O 120.844 0.268 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.9 t -144.27 83.95 9.71 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.735 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.73 118.86 5.91 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.975 2.45 . . . . 0.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.2 m -89.99 -40.99 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.61 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.659 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.99 -39.78 86.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.826 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -73.99 -30.23 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.577 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.05 -29.04 63.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.305 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.5 -48.72 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.873 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.982 179.337 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -97.96 99.09 10.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.249 0.547 . . . . 0.0 110.771 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.49 -44.6 98.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.942 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -62.53 -45.29 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.32 -41.98 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.205 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.6 t -75.12 -15.79 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.256 0.551 . . . . 0.0 110.17 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.881 -179.397 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 121.438 0.516 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.56 83.24 31.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.832 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.93 118.99 5.96 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.198 2.599 . . . . 0.0 112.663 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -87.39 -40.14 14.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.57 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.094 0.473 . . . . 0.0 110.387 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.39 -32.53 73.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.61 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -66.05 -25.36 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -69.95 -26.69 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 0.0 110.26 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.16 -39.86 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.068 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.375 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 2.1 mmp_? -101.78 111.99 24.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.147 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.95 -30.77 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -67.46 -36.67 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.128 0.489 . . . . 0.0 110.306 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.92 -22.94 59.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.801 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.0 m -84.23 -33.09 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -67.0 -50.47 62.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.296 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 177.878 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.489 0.537 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.3 m -122.93 97.11 44.2 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.133 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.42 131.42 40.6 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 112.464 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -71.88 -23.93 61.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.109 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.62 84.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.079 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.18 -26.96 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -72.37 -16.88 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 109.895 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -89.77 -32.51 16.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.871 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.42 -48.23 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.75 176.718 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 p90 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -86.78 119.7 27.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.315 0.579 . . . . 0.0 110.713 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.71 -25.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.271 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -63.61 -19.79 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.839 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.65 -39.17 16.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.86 -27.96 62.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HD2' ' C ' ' A' ' 28' ' ' ARG . 3.8 ppt_? -68.03 -15.02 63.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.692 0.758 . . . . 0.0 109.813 -179.428 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.471 0.176 0 CA-C-O 121.359 0.483 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.72 135.93 22.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.267 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.96 118.91 5.87 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.589 2.192 . . . . 0.0 112.15 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.8 m -63.94 -39.82 95.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.36 95.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.875 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -66.79 -31.66 72.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.3 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.29 -28.54 65.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.758 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -83.2 -38.74 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.147 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -80.35 -35.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.767 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.954 -178.107 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.4 ptt180 -98.45 89.42 4.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.604 0.716 . . . . 0.0 110.832 -174.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m -85.92 -16.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.839 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.2 tpp180 -85.83 -16.88 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 61.4 m -84.71 -2.87 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.42 -9.38 58.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 0.0 111.329 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 39.3 ptt180 -97.57 -9.95 26.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.442 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.4 . . . . 0.0 111.333 -177.825 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 121.098 0.374 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -73.23 124.78 90.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.251 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.65 120.88 8.26 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.458 2.106 . . . . 0.0 111.912 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m -66.4 -39.6 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.942 -176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.74 -26.75 65.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.72 -31.26 64.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.962 0.41 . . . . 0.0 110.341 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -75.66 -2.64 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.93 -18.05 56.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.483 0.658 . . . . 0.0 109.35 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.2 mt -86.48 -30.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.719 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.494 -178.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -88.19 87.76 7.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.415 0.626 . . . . 0.0 109.907 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.6 -37.55 74.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.981 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.32 -50.94 71.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.417 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -68.51 -40.86 80.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.347 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.66 -28.85 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -76.35 -43.9 38.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.85 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.136 178.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.872 0.28 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 m -124.24 78.75 60.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.412 . . . . 0.0 111.137 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.458 ' CB ' ' HB3' ' A' ' 13' ' ' PHE . 5.8 Cg_exo -75.55 119.89 5.68 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 123.157 2.571 . . . . 0.0 111.439 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -90.03 -42.94 10.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.114 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.58 -25.23 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.132 0.492 . . . . 0.0 111.365 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' A' ' 10' ' ' PRO . 91.7 t80 -70.67 -27.87 64.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.447 ' CZ ' ' HD2' ' A' ' 10' ' ' PRO . 95.7 mtt180 -87.72 -11.06 49.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -100.83 -61.7 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 32.7 mt -101.67 -40.87 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.068 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.942 -178.449 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 p90 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.583 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 30.2 mtt180 -100.21 116.72 32.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.332 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.54 -37.07 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.402 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -63.53 -34.19 77.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.116 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.583 ' SG ' ' HD2' ' A' ' 23' ' ' ARG . 80.2 m -75.88 -17.18 59.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.612 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.7 t -74.98 -23.97 58.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -100.86 -57.27 2.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.456 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 pt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.624 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.472 0.244 0 CA-C-O 121.249 0.437 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.22 99.86 52.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.611 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.98 132.21 50.22 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.023 2.482 . . . . 0.0 112.572 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -70.59 -30.84 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.548 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.99 -40.23 68.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.523 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.56 -24.05 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.487 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -66.01 -29.17 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.278 0.561 . . . . 0.0 109.902 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.88 -26.27 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.888 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.19 -31.42 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.681 174.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.961 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.457 179.791 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -100.15 121.71 41.84 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -70.08 -18.91 22.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.712 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.7 p -72.56 -18.19 61.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.4 t -96.31 1.15 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.312 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -86.54 -65.6 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.853 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 tt . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 122.016 0.912 . . . . 0.0 111.642 -176.392 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 C--O 1.233 0.253 0 CA-C-O 120.936 0.307 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.8 t -149.01 89.69 4.87 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.394 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.78 118.16 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.456 2.104 . . . . 0.0 111.093 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -100.83 -41.46 6.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.06 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.99 -20.6 64.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -78.54 -13.53 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 110.27 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -96.51 -35.86 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.926 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.37 -49.57 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.659 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.652 -177.21 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -96.12 128.52 43.09 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.008 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.29 -18.31 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.039 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -58.41 -36.15 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.377 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.0 m -67.8 -30.04 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 m -86.93 -29.95 21.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -70.64 -30.7 67.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.06 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.909 178.041 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo . . . . . 0 C--O 1.234 0.3 0 CA-C-O 121.051 0.354 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 p -144.2 112.46 5.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.905 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -70.6 120.74 7.33 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.653 2.236 . . . . 0.0 112.062 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -66.26 -35.35 80.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.247 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.93 59.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -64.92 -19.57 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -64.99 -28.59 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.285 0.564 . . . . 0.0 110.005 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -91.07 -31.38 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.84 -36.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.186 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.231 178.797 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 p90 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -95.47 147.14 23.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.977 0.418 . . . . 0.0 110.364 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.75 -35.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.904 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.95 -41.46 96.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.23 -36.99 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.385 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.92 -21.73 59.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.962 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.38 -23.71 27.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.683 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.673 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.833 0.264 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 p -124.7 96.48 40.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.99 119.14 6.13 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.11 2.54 . . . . 0.0 112.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -77.56 -39.77 44.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.088 0.47 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -56.09 -38.89 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.341 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.23 -31.12 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -87.14 -26.62 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.282 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 12' ' ' ALA . 62.7 mt -72.54 -55.13 14.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.703 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.183 -175.107 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.5 p90 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -95.56 102.88 14.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 110.975 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.31 -40.17 25.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.288 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -64.71 -28.17 69.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -62.34 -36.28 81.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.995 0.426 . . . . 0.0 110.698 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.32 -2.49 42.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -100.39 -46.1 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.1 0.476 . . . . 0.0 110.375 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.336 -176.805 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 121.193 0.414 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -142.84 84.22 10.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.702 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.51 118.52 5.41 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.78 2.32 . . . . 0.0 112.089 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -89.52 -40.9 12.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.399 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -66.35 -45.24 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.93 -37.21 81.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -81.15 -26.23 36.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.383 . . . . 0.0 110.539 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.41 -32.97 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 110.253 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 12' ' ' ALA . 68.3 mt -63.16 -35.49 72.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.565 174.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 172.383 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.09 113.97 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 0.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.57 -25.8 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.138 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -59.9 -32.86 71.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.224 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.64 -20.44 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -85.71 -14.88 44.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.357 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -100.16 -49.23 4.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.458 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.788 0.328 . . . . 0.0 110.815 -177.519 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 C--O 1.232 0.224 0 CA-C-O 121.102 0.376 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -157.5 107.45 1.83 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.463 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.98 120.42 5.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.058 2.505 . . . . 0.0 112.114 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.409 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 15.1 m -89.89 -21.08 22.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 111.666 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -71.9 -34.53 69.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.718 0.294 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 11' ' ' THR . 62.5 mtm180 -68.53 -25.8 65.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.369 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -72.49 -30.65 64.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.826 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -75.52 -42.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.109 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.688 -178.586 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.9 p90 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -71.86 148.08 46.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.326 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 24' ' ' VAL . 14.3 t -74.41 -0.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.992 -170.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 54.9 mtp180 -59.13 -37.56 77.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.199 -0.313 . . . . 0.0 111.481 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -76.76 -9.18 58.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.896 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 t -94.22 -0.64 55.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.2 ptm180 -69.18 -30.68 68.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.226 0.536 . . . . 0.0 109.932 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.478 176.891 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo . . . . . 0 C--O 1.234 0.298 0 CA-C-O 120.906 0.294 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 m -59.87 131.81 89.16 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.978 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 118.59 4.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.095 2.53 . . . . 0.0 112.337 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -88.07 -20.08 26.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 -47.43 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -64.24 -38.47 91.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.176 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -45.5 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.78 -56.27 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.254 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.145 -178.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -75.84 124.21 26.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -62.71 -13.9 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.201 -172.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -57.64 -35.59 70.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -69.33 -39.63 78.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.74 -26.59 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.171 0.51 . . . . 0.0 110.204 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -78.27 -35.34 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.071 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.033 -178.256 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.231 0.171 0 N-CA-C 112.899 0.307 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.6 m -126.72 84.27 63.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.558 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.51 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 5.7 Cg_exo -77.36 126.04 8.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.033 2.489 . . . . 0.0 111.631 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -61.92 -34.12 75.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.986 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.59 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.045 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -77.39 -36.52 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 10' ' ' PRO . 62.8 mtp180 -66.83 -24.55 66.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 0.0 110.489 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.78 -30.32 69.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.7 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -87.16 -43.59 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.052 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.912 178.043 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 18.4 tpt180 -87.66 125.76 34.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.6 t -62.39 -23.2 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.216 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.6 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 23' ' ' ARG . 57.8 m -69.37 -25.14 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.323 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.49 -16.92 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.328 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -86.56 -33.64 20.18 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.53 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo . . . . . 0 C--O 1.235 0.354 0 CA-C-O 120.934 0.306 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -119.62 94.65 48.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.47 118.7 4.27 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.392 2.728 . . . . 0.0 112.909 -176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 35.5 m -66.24 -33.92 76.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.07 84.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.959 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -77.45 -27.51 52.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.482 . . . . 0.0 110.731 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -87.6 -6.14 58.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.557 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 11' ' ' THR . 30.6 tt0 -95.7 15.54 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.688 . . . . 0.0 109.913 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.72 -45.45 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.008 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.514 176.299 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.538 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.3 mmt180 -100.34 144.2 29.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.018 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.86 -40.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -61.13 -29.77 69.97 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.714 -176.432 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 8.9 p -66.74 -43.08 85.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.89 -14.25 62.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.48 . . . . 0.0 110.767 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -86.99 -28.19 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.688 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 pt . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.134 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 N--CA 1.466 -0.1 0 CA-C-O 121.139 0.391 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -147.78 113.65 3.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.303 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.88 117.62 4.28 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.201 1.934 . . . . 0.0 111.332 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 m -86.32 -22.78 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.241 0.543 . . . . 0.0 110.661 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.3 -8.13 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.307 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -62.37 -44.53 96.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.31 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -86.08 7.68 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.05 0.453 . . . . 0.0 110.714 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -100.07 -44.37 6.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -73.67 -42.17 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.28 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.5 p90 . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 10.7 mmp_? -81.84 101.41 10.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 110.626 -175.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.673 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 22.8 t -65.57 -24.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.813 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -58.58 -30.19 66.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.8 t -81.97 -50.18 9.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.673 ' SG ' ' HA ' ' A' ' 24' ' ' VAL . 4.8 p -72.63 -35.06 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.632 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 14.6 tpt180 -85.15 -20.26 30.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.454 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 81.3 mt . . . . . 0 N--CA 1.47 0.526 0 C-N-CA 123.227 0.611 . . . . 0.0 111.291 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 121.178 0.407 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -134.47 91.15 22.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.776 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 123.99 15.15 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 112.248 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -68.03 -30.5 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.73 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -67.42 -37.63 83.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.833 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -79.04 -25.06 43.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.354 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.32 -29.66 70.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.499 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.8 mm -67.85 -33.84 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.248 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.553 177.844 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 p90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.8 mmp_? -100.92 139.25 36.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.896 0.379 . . . . 0.0 110.347 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.46 -2.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.908 -175.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -81.38 -12.11 59.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.262 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -64.69 -19.45 65.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.635 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.1 p -63.43 -25.37 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.758 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.96 -16.07 42.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.404 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 C--O 1.233 0.241 0 CA-C-O 121.061 0.359 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -139.99 89.63 11.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.324 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.01 144.29 99.52 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.095 2.53 . . . . 0.0 112.542 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -110.16 5.45 21.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.526 0.679 . . . . 0.0 109.876 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.49 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.925 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -73.51 -27.69 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.653 0.263 . . . . 0.0 110.81 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -67.98 -28.95 67.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.22 -16.12 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.5 mt -96.9 -38.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.138 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.16 -177.044 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 p90 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' H ' ' HD2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.78 114.11 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.574 0.702 . . . . 0.0 111.243 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.516 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 42.8 t -88.16 -19.69 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.174 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -53.06 -38.72 62.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.331 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -69.01 -37.15 78.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m -77.31 -4.85 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 96.8 mtt180 -86.67 -31.62 20.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.368 177.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 tt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.747 179.537 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.994 0.331 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.5 t -109.32 117.74 52.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.199 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.59 142.29 95.57 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.628 2.219 . . . . 0.0 111.852 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 m -59.9 -38.85 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.225 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.879 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.3 -42.48 88.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.011 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.58 -19.25 60.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.716 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -84.12 -38.63 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.405 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mm -70.67 -32.62 49.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 172.173 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -100.37 99.43 10.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.08 0.466 . . . . 0.0 110.608 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -69.59 -18.7 22.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.777 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -60.83 -46.84 88.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.3 p -81.35 -15.18 56.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.004 0.431 . . . . 0.0 110.492 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 t -75.6 -26.18 57.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.756 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -82.09 -22.08 36.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.563 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.489 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 45.2 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 121.525 0.552 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.7 m -94.47 101.8 7.42 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.029 172.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 8' ' ' PRO . 14.7 Cg_exo -69.43 123.52 10.29 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.859 2.373 . . . . 0.0 112.053 -177.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -99.26 -40.67 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.943 0.402 . . . . 0.0 110.703 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -73.59 -43.86 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.312 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.02 -31.96 72.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -68.96 -31.23 69.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.223 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -74.99 -28.75 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 12' ' ' ALA . 46.7 mm -72.03 -45.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.138 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.139 179.674 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -79.89 115.7 19.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.59 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.047 -175.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -56.95 -40.62 76.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.054 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.98 -29.28 70.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.993 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -92.76 -23.64 18.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -177.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -94.61 -54.06 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.813 0.339 . . . . 0.0 111.539 -176.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 121.499 0.666 . . . . 0.0 110.606 -174.701 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.651 0.263 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.13 -140.25 10.21 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.71 23.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.166 0.507 . . . . 0.0 110.399 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -79.56 121.99 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.9 m -91.78 -6.27 52.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.199 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 97.7 m95 64.89 36.05 8.0 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.845 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.62 143.51 18.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.527 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.66 -41.71 74.92 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.676 2.251 . . . . 0.0 111.878 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.9 t -144.27 83.95 9.71 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.735 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.73 118.86 5.91 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.975 2.45 . . . . 0.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.2 m -89.99 -40.99 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.61 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.659 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.99 -39.78 86.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.826 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -73.99 -30.23 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.577 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.05 -29.04 63.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.305 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.5 -48.72 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.873 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.28 75.34 2.21 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.982 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -144.21 118.4 9.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.931 0.396 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.62 39.66 3.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.406 0.622 . . . . 0.0 110.294 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.13 85.4 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.852 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -81.24 7.13 12.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.193 0.521 . . . . 0.0 110.567 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.78 143.31 27.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -97.96 99.09 10.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.249 0.547 . . . . 0.0 110.771 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.49 -44.6 98.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.942 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -62.53 -45.29 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.32 -41.98 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.205 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.6 t -75.12 -15.79 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.256 0.551 . . . . 0.0 110.17 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.39 -39.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.881 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.436 -0.793 . . . . 0.0 110.055 -179.001 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.566 0.222 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.42 -152.53 21.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.665 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.83 -51.36 9.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.017 0.437 . . . . 0.0 110.077 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 mm -83.2 89.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.548 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.2 t -73.81 -12.33 60.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.25 -15.98 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.11 116.99 1.09 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.548 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.42 -30.22 44.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.582 2.188 . . . . 0.0 111.441 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.56 83.24 31.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.832 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.93 118.99 5.96 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.198 2.599 . . . . 0.0 112.663 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -87.39 -40.14 14.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.57 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.094 0.473 . . . . 0.0 110.387 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.39 -32.53 73.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.61 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -66.05 -25.36 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -69.95 -26.69 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 0.0 110.26 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.16 -39.86 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.068 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.8 5.65 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.375 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 52.0 m-80 -127.33 -103.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.806 -0.232 . . . . 0.0 110.552 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t 49.1 55.44 9.31 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.352 0.596 . . . . 0.0 111.422 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 34.56 6.88 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.053 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 22.6 mmm180 -82.82 -33.71 27.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 110.0 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -125.59 137.69 53.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.737 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 2.1 mmp_? -101.78 111.99 24.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.147 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.95 -30.77 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -67.46 -36.67 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.128 0.489 . . . . 0.0 110.306 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 61.4 m -73.92 -22.94 59.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.0 m -84.23 -33.09 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -67.0 -50.47 62.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.296 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.36 102.62 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 56.6 mtp180 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.879 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.928 0.394 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.97 -179.34 39.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.728 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.06 -43.63 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 109.989 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 4' ' ' ILE . 7.9 tp -73.22 108.49 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 121.613 0.721 . . . . 0.0 109.569 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.4 m -91.56 -36.94 13.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.678 -172.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -131.06 131.54 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.665 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 71.9 0.95 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.786 -0.643 . . . . 0.0 113.128 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.43 -31.06 72.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.554 2.169 . . . . 0.0 110.919 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.3 m -122.93 97.11 44.2 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.133 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.42 131.42 40.6 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 112.464 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -71.88 -23.93 61.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.109 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.62 84.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.079 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.18 -26.96 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -72.37 -16.88 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 109.895 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -89.77 -32.51 16.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.871 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.42 -48.23 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.78 124.05 4.57 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.75 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -127.59 -54.16 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.015 0.436 . . . . 0.0 110.363 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.7 m -84.53 65.56 9.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.302 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.9 16.79 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.765 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.589 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 3.5 mmp_? -98.87 13.0 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 0.0 110.68 -178.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -88.68 155.73 19.43 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.049 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -86.78 119.7 27.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.315 0.579 . . . . 0.0 110.713 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.71 -25.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.271 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -63.61 -19.79 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.839 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.65 -39.17 16.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.86 -27.96 62.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HD2' ' C ' ' A' ' 28' ' ' ARG . 3.8 ppt_? -68.03 -15.02 63.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.9 14.11 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.692 0.758 . . . . 0.0 109.813 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.019 -178.425 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.68 -107.9 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 O-C-N 123.39 0.431 . . . . 0.0 112.954 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.46 -16.09 24.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.432 ' N ' HD11 ' A' ' 4' ' ' ILE . 3.9 mp -92.16 92.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.267 0.556 . . . . 0.0 110.129 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -115.71 -36.1 4.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.896 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -138.1 116.15 11.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.516 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.95 164.39 15.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.047 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.11 -25.28 80.87 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.977 2.452 . . . . 0.0 111.942 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.72 135.93 22.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.267 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.96 118.91 5.87 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.589 2.192 . . . . 0.0 112.15 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.8 m -63.94 -39.82 95.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.36 95.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.875 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -66.79 -31.66 72.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.3 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.29 -28.54 65.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.758 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -83.2 -38.74 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.147 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -80.35 -35.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.767 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.21 100.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.954 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -124.75 121.93 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.7 m -63.52 110.35 1.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.013 0.435 . . . . 0.0 109.99 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.73 -36.96 2.62 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 3.4 mmp_? -86.89 -29.82 21.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -115.36 99.2 7.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.853 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.4 ptt180 -98.45 89.42 4.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.604 0.716 . . . . 0.0 110.832 -174.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m -85.92 -16.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.839 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.2 tpp180 -85.83 -16.88 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 61.4 m -84.71 -2.87 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.42 -9.38 58.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 0.0 111.329 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 39.3 ptt180 -97.57 -9.95 26.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.442 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 pt -123.91 132.19 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.4 . . . . 0.0 111.333 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.346 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.3 m120 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.05 -164.31 13.75 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.269 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.47 -39.6 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.5 mt -84.11 129.61 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.1 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.81 -23.95 41.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.782 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 89.7 m95 61.1 29.58 18.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.481 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.54 114.17 0.62 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.438 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.3 -23.49 59.11 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.691 2.26 . . . . 0.0 111.88 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -73.23 124.78 90.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.251 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.65 120.88 8.26 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.458 2.106 . . . . 0.0 111.912 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m -66.4 -39.6 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.942 -176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.74 -26.75 65.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.72 -31.26 64.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.962 0.41 . . . . 0.0 110.341 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -75.66 -2.64 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.93 -18.05 56.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.483 0.658 . . . . 0.0 109.35 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.2 mt -86.48 -30.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.719 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 -145.85 38.46 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.494 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -114.09 -76.28 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.5 m -144.21 68.02 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.28 31.04 5.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.023 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -89.74 -43.14 10.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.299 0.571 . . . . 0.0 109.562 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -91.18 140.53 29.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.097 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -88.19 87.76 7.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.415 0.626 . . . . 0.0 109.907 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.6 -37.55 74.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.981 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.32 -50.94 71.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.417 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -68.51 -40.86 80.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.347 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.66 -28.85 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -76.35 -43.9 38.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.85 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.7 tt -71.97 -35.39 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.136 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.663 177.397 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.7 m120 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.705 0.288 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.55 -118.46 11.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.531 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.46 -29.42 46.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 110.228 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mm -86.81 89.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.41 0.624 . . . . 0.0 110.45 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 p -113.37 13.86 19.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.421 172.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -150.34 146.15 26.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.054 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.57 -113.01 1.11 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.755 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -62.5 -35.36 71.83 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 m -124.24 78.75 60.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.412 . . . . 0.0 111.137 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' CB ' ' HB3' ' A' ' 13' ' ' PHE . 5.8 Cg_exo -75.55 119.89 5.68 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 123.157 2.571 . . . . 0.0 111.439 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -90.03 -42.94 10.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.114 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 20' ' ' GLY . . . -91.58 -25.23 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.132 0.492 . . . . 0.0 111.365 -177.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' A' ' 10' ' ' PRO . 91.7 t80 -70.67 -27.87 64.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.447 ' CZ ' ' HD2' ' A' ' 10' ' ' PRO . 95.7 mtt180 -87.72 -11.06 49.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -100.83 -61.7 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 32.7 mt -101.67 -40.87 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.068 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.24 47.94 0.79 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.942 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 65.02 63.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.528 0.68 . . . . 0.0 110.331 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 t -170.89 44.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.911 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 109.08 173.77 21.2 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.43 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -100.7 -48.7 4.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.541 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -124.14 149.45 46.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.215 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.583 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 30.2 mtt180 -100.21 116.72 32.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.332 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.54 -37.07 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.402 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -63.53 -34.19 77.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.116 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.583 ' SG ' ' HD2' ' A' ' 23' ' ' ARG . 80.2 m -75.88 -17.18 59.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.612 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.7 t -74.98 -23.97 58.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -100.86 -57.27 2.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.456 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 pt -114.81 -43.97 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 59.2 ttt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.516 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.31 50.55 0.85 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.195 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.01 -60.51 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.641 0.258 . . . . 0.0 111.18 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 pt -139.42 99.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.219 0.533 . . . . 0.0 111.368 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 p -86.76 -14.55 42.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.183 0.516 . . . . 0.0 110.513 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -130.39 164.73 24.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.94 159.04 9.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.902 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.44 -29.51 69.07 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.176 2.584 . . . . 0.0 112.347 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.22 99.86 52.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.611 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.98 132.21 50.22 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.023 2.482 . . . . 0.0 112.572 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -70.59 -30.84 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.548 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.99 -40.23 68.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.523 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.56 -24.05 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.487 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -66.01 -29.17 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.278 0.561 . . . . 0.0 109.902 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.88 -26.27 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.888 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.19 -31.42 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.681 174.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.55 -133.63 11.94 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -112.24 24.81 12.17 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.482 0.658 . . . . 0.0 109.673 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -88.89 24.37 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.656 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.64 135.68 15.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.116 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.82 -30.57 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 110.074 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -134.05 138.27 45.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.692 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -100.15 121.71 41.84 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -70.08 -18.91 22.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.712 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.7 p -72.56 -18.19 61.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.4 t -96.31 1.15 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.312 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -86.54 -65.6 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.853 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 tt -146.37 83.44 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 122.016 0.912 . . . . 0.0 111.642 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.817 173.654 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.785 0.326 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.09 -146.0 16.13 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.59 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.47 63.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.628 0.252 . . . . 0.0 111.112 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mt -79.94 88.98 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.226 0.536 . . . . 0.0 110.207 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' SG ' ' HZ ' ' A' ' 13' ' ' PHE . 17.1 t -107.19 -15.46 14.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.929 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -115.74 115.51 26.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.377 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 -153.19 29.87 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.22 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.54 -31.39 60.6 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.076 2.518 . . . . 0.0 112.815 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.8 t -149.01 89.69 4.87 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.394 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.78 118.16 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.456 2.104 . . . . 0.0 111.093 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -100.83 -41.46 6.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.06 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' HZ ' ' SG ' ' A' ' 5' ' ' CYS . 60.9 m-85 -68.99 -20.6 64.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -78.54 -13.53 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 110.27 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -96.51 -35.86 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.926 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.37 -49.57 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.659 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.67 -170.24 42.13 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.652 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -110.46 144.06 39.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.3 p -77.8 -7.31 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.17 56.37 4.0 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.169 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -88.41 -21.26 24.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.521 0.676 . . . . 0.0 109.513 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -94.83 166.68 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.821 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -96.12 128.52 43.09 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.008 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.29 -18.31 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.039 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -58.41 -36.15 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.377 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.0 m -67.8 -30.04 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 m -86.93 -29.95 21.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -70.64 -30.7 67.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.06 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.7 pt -77.56 -7.63 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.909 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.122 177.312 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.76 -87.13 1.55 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.867 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -48.07 67.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.29 105.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.609 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 52.5 t -76.79 -36.5 56.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.332 -175.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -81.27 122.83 27.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 -139.85 5.1 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.92 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.25 -36.67 27.35 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.627 2.218 . . . . 0.0 111.979 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 p -144.2 112.46 5.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.905 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.609 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.2 Cg_exo -70.6 120.74 7.33 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.653 2.236 . . . . 0.0 112.062 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -66.26 -35.35 80.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.247 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.93 59.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -64.92 -19.57 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -64.99 -28.59 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.285 0.564 . . . . 0.0 110.005 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -91.07 -31.38 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.84 -36.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.186 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.76 78.11 2.04 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.231 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -88.43 -28.61 20.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.026 0.441 . . . . 0.0 109.85 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.3 p -85.58 145.41 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.173 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.56 100.83 2.29 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.709 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -72.59 -28.83 63.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.307 0.575 . . . . 0.0 109.902 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -107.39 168.48 9.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.987 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -95.47 147.14 23.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.977 0.418 . . . . 0.0 110.364 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.75 -35.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.904 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.95 -41.46 96.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.23 -36.99 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.385 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.92 -21.73 59.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.962 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.38 -23.71 27.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.683 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp -93.28 -50.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.673 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.984 -178.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.659 0.266 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.62 -138.71 5.19 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.294 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.38 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.84 110.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.41 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.69 6.14 49.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.361 0.601 . . . . 0.0 110.254 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.442 ' NE1' ' HB3' ' A' ' 10' ' ' PRO . 21.2 t90 -74.59 112.16 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.421 176.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.92 -129.97 2.64 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.603 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -62.2 -30.83 82.36 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.752 2.301 . . . . 0.0 112.313 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 p -124.7 96.48 40.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HB3' ' NE1' ' A' ' 6' ' ' TRP . 35.7 Cg_exo -60.99 119.14 6.13 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.11 2.54 . . . . 0.0 112.842 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -77.56 -39.77 44.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.088 0.47 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -56.09 -38.89 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.341 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.23 -31.12 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -87.14 -26.62 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.282 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 12' ' ' ALA . 62.7 mt -72.54 -55.13 14.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.703 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.183 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.02 116.98 1.52 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.6 t 59.42 36.95 23.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.345 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.55 54.57 10.06 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.406 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -66.27 -31.32 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 111.016 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.19 144.4 26.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.778 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -95.56 102.88 14.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 110.975 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.31 -40.17 25.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.288 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -64.71 -28.17 69.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -62.34 -36.28 81.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.995 0.426 . . . . 0.0 110.698 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.32 -2.49 42.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -100.39 -46.1 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.1 0.476 . . . . 0.0 110.375 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -112.64 121.41 64.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.336 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.293 178.198 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.516 0.198 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.1 -80.25 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.371 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.95 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 0.0 110.313 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.5 mm -102.67 108.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.686 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.7 m -103.32 14.86 30.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.268 0.556 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -99.48 125.83 45.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.912 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.18 -146.43 4.48 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.94 -22.18 68.57 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.736 2.291 . . . . 0.0 111.818 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -142.84 84.22 10.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.702 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.51 118.52 5.41 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.78 2.32 . . . . 0.0 112.089 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -89.52 -40.9 12.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.399 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -66.35 -45.24 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.93 -37.21 81.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -81.15 -26.23 36.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.383 . . . . 0.0 110.539 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.41 -32.97 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 110.253 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 12' ' ' ALA . 68.3 mt -63.16 -35.49 72.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.565 174.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.95 98.74 0.99 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -81.99 179.47 7.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.821 0.343 . . . . 0.0 111.508 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 p -62.64 -59.25 5.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.195 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.77 142.3 7.51 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.778 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.57 -24.54 36.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.453 0.644 . . . . 0.0 110.029 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -101.85 -160.31 0.78 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.697 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.09 113.97 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 0.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.57 -25.8 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.138 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -59.9 -32.86 71.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.224 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.64 -20.44 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -85.71 -14.88 44.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.357 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -100.16 -49.23 4.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.458 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 pt -94.87 159.0 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.788 0.328 . . . . 0.0 110.815 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.077 178.654 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.035 0.445 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.75 91.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.111 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.05 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.86 0.362 . . . . 0.0 110.768 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.3 pt -132.16 125.84 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.125 0.488 . . . . 0.0 111.019 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.8 m -110.22 14.63 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.333 0.587 . . . . 0.0 110.358 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -101.77 36.4 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.3 -178.02 49.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.608 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.02 -32.71 43.69 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.571 2.18 . . . . 0.0 111.601 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -157.5 107.45 1.83 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.463 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.98 120.42 5.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.058 2.505 . . . . 0.0 112.114 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.409 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 15.1 m -89.89 -21.08 22.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 111.666 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -71.9 -34.53 69.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.718 0.294 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 11' ' ' THR . 62.5 mtm180 -68.53 -25.8 65.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.369 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -72.49 -30.65 64.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.826 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -75.52 -42.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.109 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.93 -56.06 4.93 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 64.4 -87.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.527 0.731 . . . . 0.0 111.511 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -67.74 -31.38 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 0.0 110.649 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.38 20.13 48.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.261 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -92.94 -27.98 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -101.66 149.07 24.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.175 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -71.86 148.08 46.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.326 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 24' ' ' VAL . 14.3 t -74.41 -0.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.992 -170.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 54.9 mtp180 -59.13 -37.56 77.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.199 -0.313 . . . . 0.0 111.481 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -76.76 -9.18 58.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.896 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 t -94.22 -0.64 55.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.2 ptm180 -69.18 -30.68 68.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.226 0.536 . . . . 0.0 109.932 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.2 mt -80.93 -53.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.478 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.376 178.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.31 -12.65 57.09 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.771 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.91 -10.45 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.98 0.419 . . . . 0.0 110.836 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 tp -89.28 118.2 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.607 0.717 . . . . 0.0 110.562 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.2 m -83.97 -15.87 46.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.617 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -116.22 36.82 3.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.298 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.24 -162.61 11.88 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.249 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -61.98 -29.16 81.51 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.886 2.391 . . . . 0.0 111.997 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 m -59.87 131.81 89.16 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.978 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 118.59 4.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.095 2.53 . . . . 0.0 112.337 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -88.07 -20.08 26.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 -47.43 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -64.24 -38.47 91.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.176 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -45.5 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.78 -56.27 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.254 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.01 114.71 0.35 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.145 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -159.36 -67.07 0.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 t -164.76 44.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.84 50.21 0.82 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.174 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.505 ' HA ' ' HE ' ' A' ' 21' ' ' ARG . 1.2 mmp_? -104.17 -6.75 20.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 109.861 173.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.34 -175.52 4.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.368 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -75.84 124.21 26.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -62.71 -13.9 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.201 -172.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -57.64 -35.59 70.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -69.33 -39.63 78.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.74 -26.59 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.171 0.51 . . . . 0.0 110.204 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -78.27 -35.34 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.071 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG21 ' HG3' ' A' ' 30' ' ' ARG . 10.3 tp -83.72 -28.01 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.033 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG3' HG21 ' A' ' 29' ' ' ILE . 62.7 mtm180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.463 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.676 0.274 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.3 -110.58 3.43 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.421 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.7 57.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -92.05 98.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.096 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.4 t -97.0 -18.29 19.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.317 0.58 . . . . 0.0 110.0 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -115.15 122.42 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.738 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.64 174.09 22.42 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.164 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.0 -31.16 93.13 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.032 2.488 . . . . 0.0 112.899 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.6 m -126.72 84.27 63.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.558 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.51 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 5.7 Cg_exo -77.36 126.04 8.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.033 2.489 . . . . 0.0 111.631 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -61.92 -34.12 75.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.986 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.59 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.045 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -77.39 -36.52 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 10' ' ' PRO . 62.8 mtp180 -66.83 -24.55 66.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 0.0 110.489 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.78 -30.32 69.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.7 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -87.16 -43.59 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.052 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.71 -130.22 1.75 Allowed Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.912 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -90.72 122.65 33.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.44 0.638 . . . . 0.0 109.867 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.6 m -86.8 67.6 9.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.995 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 51.93 2.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -122.1 3.28 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.995 0.426 . . . . 0.0 110.893 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -122.2 160.1 25.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 18.4 tpt180 -87.66 125.76 34.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.6 t -62.39 -23.2 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.216 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.6 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 23' ' ' ARG . 57.8 m -69.37 -25.14 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.323 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.49 -16.92 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.328 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -86.56 -33.64 20.18 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.56 -55.6 17.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.571 179.455 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.92 62.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.898 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.93 49.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 0.0 110.557 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.6 mt -81.45 89.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.932 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -115.89 1.81 13.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.876 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . 81.2 m95 -109.9 48.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.952 0.406 . . . . 0.0 110.557 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.75 -168.01 41.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.92 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.54 -49.03 2.66 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.679 2.253 . . . . 0.0 111.939 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -119.62 94.65 48.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' A' ' 6' ' ' TRP . 89.3 Cg_exo -50.47 118.7 4.27 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.392 2.728 . . . . 0.0 112.909 -176.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 35.5 m -66.24 -33.92 76.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.07 84.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.959 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -77.45 -27.51 52.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.482 . . . . 0.0 110.731 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -87.6 -6.14 58.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.557 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 11' ' ' THR . 30.6 tt0 -95.7 15.54 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.688 . . . . 0.0 109.913 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.72 -45.45 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.008 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.83 99.69 1.16 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.514 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -75.28 -66.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.722 0.296 . . . . 0.0 111.436 -176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.24 153.85 51.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.457 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 8.05 68.53 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.894 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.51 -38.87 59.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -125.2 146.91 49.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.586 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.538 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.3 mmt180 -100.34 144.2 29.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.018 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.86 -40.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -61.13 -29.77 69.97 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.714 -176.432 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 8.9 p -66.74 -43.08 85.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.89 -14.25 62.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.48 . . . . 0.0 110.767 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -86.99 -28.19 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.688 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 pt -102.67 -23.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.053 178.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.765 0.317 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.62 27.63 29.12 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.168 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.12 23.83 9.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 pt -76.77 130.42 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.384 0.612 . . . . 0.0 110.803 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.38 -14.11 17.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.871 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -119.5 135.54 54.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.836 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.88 -165.11 30.13 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.52 -40.02 78.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.629 2.22 . . . . 0.0 111.327 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -147.78 113.65 3.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.303 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.88 117.62 4.28 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.201 1.934 . . . . 0.0 111.332 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 m -86.32 -22.78 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.241 0.543 . . . . 0.0 110.661 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.3 -8.13 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.307 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -62.37 -44.53 96.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.31 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 18' ' ' ASN . 79.8 mtm180 -86.08 7.68 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.05 0.453 . . . . 0.0 110.714 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -100.07 -44.37 6.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -73.67 -42.17 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.02 12.07 58.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.28 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 59.4 t30 -77.4 130.16 36.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 t -74.28 81.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 110.778 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.72 31.03 3.63 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -80.11 -24.73 40.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.221 0.534 . . . . 0.0 110.135 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -90.41 163.07 14.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.327 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 10.7 mmp_? -81.84 101.41 10.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 110.626 -175.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.673 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 22.8 t -65.57 -24.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.813 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -58.58 -30.19 66.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.8 t -81.97 -50.18 9.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.673 ' SG ' ' HA ' ' A' ' 24' ' ' VAL . 4.8 p -72.63 -35.06 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.632 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 14.6 tpt180 -85.15 -20.26 30.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.454 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 81.3 mt 75.44 -51.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.227 0.611 . . . . 0.0 111.291 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 C--O 1.25 1.098 0 O-C-N 123.675 0.609 . . . . 0.0 110.481 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.551 0.215 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.35 164.83 13.25 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.43 91.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.123 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.6 pt -81.01 152.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.434 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.9 m -96.58 15.17 22.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.79 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -138.46 179.53 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.077 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.68 -152.81 7.33 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.34 -22.38 66.26 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.857 2.372 . . . . 0.0 111.926 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -134.47 91.15 22.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.776 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 123.99 15.15 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 112.248 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -68.03 -30.5 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.73 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -67.42 -37.63 83.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.833 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -79.04 -25.06 43.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.354 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.32 -29.66 70.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.499 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.8 mm -67.85 -33.84 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.248 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.36 76.65 2.22 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.553 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -75.14 -55.72 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.708 0.289 . . . . 0.0 111.477 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -142.89 152.9 42.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.755 0.312 . . . . 0.0 110.529 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.35 -40.35 2.51 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.796 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -75.4 -11.61 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -87.56 158.67 18.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.8 mmp_? -100.92 139.25 36.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.896 0.379 . . . . 0.0 110.347 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.46 -2.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.908 -175.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -81.38 -12.11 59.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.262 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -64.69 -19.45 65.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.635 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.1 p -63.43 -25.37 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.758 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.96 -16.07 42.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.28 -47.35 13.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.447 -179.581 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.338 0.125 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.81 -179.34 41.2 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.447 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.17 28.63 4.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 110.845 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.6 pt -88.11 99.38 8.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.91 -21.35 60.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.743 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -80.5 -23.6 40.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 0.0 109.71 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.35 166.17 36.56 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.634 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.85 -43.02 10.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.749 2.3 . . . . 0.0 111.545 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -139.99 89.63 11.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.324 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.01 144.29 99.52 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.095 2.53 . . . . 0.0 112.542 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -110.16 5.45 21.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.526 0.679 . . . . 0.0 109.876 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.49 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.925 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -73.51 -27.69 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.653 0.263 . . . . 0.0 110.81 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -67.98 -28.95 67.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.22 -16.12 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.5 mt -96.9 -38.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.138 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.85 72.2 2.61 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.16 -177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -165.65 169.0 15.75 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.0 m -117.36 63.47 0.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.226 0.536 . . . . 0.0 110.81 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.97 49.21 55.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.386 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -79.85 -27.86 40.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.042 0.448 . . . . 0.0 110.563 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -133.13 174.55 10.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.008 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' H ' ' HD2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.78 114.11 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.574 0.702 . . . . 0.0 111.243 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.516 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 42.8 t -88.16 -19.69 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.174 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -53.06 -38.72 62.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.331 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -69.01 -37.15 78.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m -77.31 -4.85 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 96.8 mtt180 -86.67 -31.62 20.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.368 177.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 tt -99.25 -38.03 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.747 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.945 178.186 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.27 37.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.147 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.13 63.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 0.0 111.07 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.95 89.23 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.161 0.505 . . . . 0.0 110.017 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.8 m -72.59 -37.44 68.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.833 177.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -140.06 -51.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.861 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.33 -147.14 11.4 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.996 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.01 -34.09 39.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.732 2.288 . . . . 0.0 112.044 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.5 t -109.32 117.74 52.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.199 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.59 142.29 95.57 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.628 2.219 . . . . 0.0 111.852 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 m -59.9 -38.85 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.225 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.879 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.3 -42.48 88.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.011 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.58 -19.25 60.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.716 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -84.12 -38.63 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.405 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mm -70.67 -32.62 49.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.98 83.99 0.17 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -179.23 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 m -63.22 106.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.661 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.57 7.31 45.63 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -85.78 -38.04 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.902 0.382 . . . . 0.0 110.637 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -105.26 165.27 11.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.331 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -100.37 99.43 10.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.08 0.466 . . . . 0.0 110.608 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -69.59 -18.7 22.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.777 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -60.83 -46.84 88.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.3 p -81.35 -15.18 56.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.004 0.431 . . . . 0.0 110.492 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 t -75.6 -26.18 57.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.756 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -82.09 -22.08 36.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -73.38 122.76 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.563 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.276 179.169 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 17.5 m120 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.89 -66.39 2.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.769 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.16 -46.11 10.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.682 0.277 . . . . 0.0 111.438 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 1' ' ' ASN . 30.0 pt -116.57 155.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.107 0.479 . . . . 0.0 111.336 -175.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.2 p -105.54 -11.46 16.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.154 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -151.61 163.37 39.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.088 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.87 -116.6 0.67 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.403 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.489 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 45.2 Cg_exo -58.05 -25.66 71.71 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.45 2.1 . . . . 0.0 110.802 172.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.7 m -94.47 101.8 7.42 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.029 172.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 8' ' ' PRO . 14.7 Cg_exo -69.43 123.52 10.29 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.859 2.373 . . . . 0.0 112.053 -177.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -99.26 -40.67 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.943 0.402 . . . . 0.0 110.703 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -73.59 -43.86 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.312 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.02 -31.96 72.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -68.96 -31.23 69.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.223 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -74.99 -28.75 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 12' ' ' ALA . 46.7 mm -72.03 -45.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.138 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.55 -69.2 1.42 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.139 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 66.95 -73.77 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.633 0.773 . . . . 0.0 111.612 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.1 m -98.12 26.29 5.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.295 0.569 . . . . 0.0 110.368 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.55 99.34 0.38 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.38 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -85.07 6.93 23.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.687 0.756 . . . . 0.0 109.9 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -132.91 -178.19 4.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.349 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -79.89 115.7 19.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.59 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.047 -175.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -56.95 -40.62 76.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.054 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.98 -29.28 70.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.993 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -92.76 -23.64 18.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -177.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -94.61 -54.06 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.813 0.339 . . . . 0.0 111.539 -176.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.37 82.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.499 0.666 . . . . 0.0 110.606 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.813 176.106 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.232 0.207 0 CA-C-O 120.844 0.268 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.9 t -144.27 83.95 9.71 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.735 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.73 118.86 5.91 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.975 2.45 . . . . 0.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.2 m -89.99 -40.99 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.61 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.659 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.99 -39.78 86.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.826 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -73.99 -30.23 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.577 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.05 -29.04 63.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.305 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.5 -48.72 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.873 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.982 179.337 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -97.96 99.09 10.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.249 0.547 . . . . 0.0 110.771 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.49 -44.6 98.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.942 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -62.53 -45.29 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.32 -41.98 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.205 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.6 t -75.12 -15.79 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.256 0.551 . . . . 0.0 110.17 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.881 -179.397 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 121.438 0.516 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.56 83.24 31.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.832 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.93 118.99 5.96 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.198 2.599 . . . . 0.0 112.663 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -87.39 -40.14 14.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.57 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.094 0.473 . . . . 0.0 110.387 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.39 -32.53 73.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.61 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -66.05 -25.36 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -69.95 -26.69 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 0.0 110.26 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.16 -39.86 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.068 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.375 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 2.1 mmp_? -101.78 111.99 24.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.147 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.95 -30.77 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -67.46 -36.67 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.128 0.489 . . . . 0.0 110.306 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.92 -22.94 59.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.801 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.0 m -84.23 -33.09 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -67.0 -50.47 62.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.296 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 177.878 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.489 0.537 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.3 m -122.93 97.11 44.2 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.133 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.42 131.42 40.6 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 112.464 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -71.88 -23.93 61.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.109 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.62 84.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.079 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.18 -26.96 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -72.37 -16.88 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 109.895 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -89.77 -32.51 16.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.871 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.42 -48.23 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.75 176.718 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 p90 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -86.78 119.7 27.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.315 0.579 . . . . 0.0 110.713 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.71 -25.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.271 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -63.61 -19.79 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.839 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.65 -39.17 16.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.86 -27.96 62.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HD2' ' C ' ' A' ' 28' ' ' ARG . 3.8 ppt_? -68.03 -15.02 63.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.692 0.758 . . . . 0.0 109.813 -179.428 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.471 0.176 0 CA-C-O 121.359 0.483 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.72 135.93 22.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.267 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.96 118.91 5.87 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.589 2.192 . . . . 0.0 112.15 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.8 m -63.94 -39.82 95.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.36 95.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.875 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -66.79 -31.66 72.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.3 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.29 -28.54 65.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.758 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -83.2 -38.74 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.147 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -80.35 -35.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.767 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.954 -178.107 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.4 ptt180 -98.45 89.42 4.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.604 0.716 . . . . 0.0 110.832 -174.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m -85.92 -16.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.839 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.2 tpp180 -85.83 -16.88 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 61.4 m -84.71 -2.87 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.42 -9.38 58.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 0.0 111.329 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 39.3 ptt180 -97.57 -9.95 26.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.442 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.4 . . . . 0.0 111.333 -177.825 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 121.098 0.374 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -73.23 124.78 90.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.251 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.65 120.88 8.26 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.458 2.106 . . . . 0.0 111.912 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m -66.4 -39.6 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.942 -176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.74 -26.75 65.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.72 -31.26 64.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.962 0.41 . . . . 0.0 110.341 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -75.66 -2.64 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.93 -18.05 56.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.483 0.658 . . . . 0.0 109.35 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.2 mt -86.48 -30.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.719 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.494 -178.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -88.19 87.76 7.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.415 0.626 . . . . 0.0 109.907 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.6 -37.55 74.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.981 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.32 -50.94 71.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.417 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -68.51 -40.86 80.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.347 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.66 -28.85 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -76.35 -43.9 38.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.85 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.136 178.922 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.872 0.28 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 m -124.24 78.75 60.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.412 . . . . 0.0 111.137 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 13' ' ' PHE . 5.8 Cg_exo -75.55 119.89 5.68 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 123.157 2.571 . . . . 0.0 111.439 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -90.03 -42.94 10.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.114 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.58 -25.23 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.132 0.492 . . . . 0.0 111.365 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' PRO . 91.7 t80 -70.67 -27.87 64.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 10' ' ' PRO . 95.7 mtt180 -87.72 -11.06 49.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -100.83 -61.7 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.435 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 32.7 mt -101.67 -40.87 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.068 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.942 -178.449 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 p90 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.6 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 30.2 mtt180 -100.21 116.72 32.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.332 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.54 -37.07 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.402 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -63.53 -34.19 77.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.116 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.6 ' SG ' ' HD2' ' A' ' 23' ' ' ARG . 80.2 m -75.88 -17.18 59.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.612 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.7 t -74.98 -23.97 58.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -100.86 -57.27 2.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.456 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 pt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.624 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.472 0.244 0 CA-C-O 121.249 0.437 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.22 99.86 52.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.611 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.98 132.21 50.22 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.023 2.482 . . . . 0.0 112.572 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -70.59 -30.84 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.548 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -71.99 -40.23 68.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.523 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.56 -24.05 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.487 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -66.01 -29.17 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.278 0.561 . . . . 0.0 109.902 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.88 -26.27 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.888 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 12' ' ' ALA . 47.5 mm -72.19 -31.42 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.681 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.961 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.457 179.791 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -100.15 121.71 41.84 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -70.08 -18.91 22.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.712 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.7 p -72.56 -18.19 61.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.4 t -96.31 1.15 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.312 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -86.54 -65.6 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.853 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 tt . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 122.016 0.912 . . . . 0.0 111.642 -176.392 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 C--O 1.233 0.253 0 CA-C-O 120.936 0.307 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.8 t -149.01 89.69 4.87 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.394 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.78 118.16 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.456 2.104 . . . . 0.0 111.093 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -100.83 -41.46 6.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.06 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.99 -20.6 64.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -78.54 -13.53 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 110.27 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -96.51 -35.86 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.926 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.37 -49.57 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.659 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.652 -177.21 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -96.12 128.52 43.09 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.008 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.29 -18.31 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.039 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -58.41 -36.15 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.377 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.0 m -67.8 -30.04 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 m -86.93 -29.95 21.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -70.64 -30.7 67.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.06 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.909 178.041 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo . . . . . 0 C--O 1.234 0.3 0 CA-C-O 121.051 0.354 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 8.7 p -144.2 112.46 5.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.905 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HB2' ' HB2' ' A' ' 13' ' ' PHE . 8.2 Cg_exo -70.6 120.74 7.33 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.653 2.236 . . . . 0.0 112.062 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -66.26 -35.35 80.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.247 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.93 59.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 10' ' ' PRO . 57.5 t80 -64.92 -19.57 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -64.99 -28.59 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.285 0.564 . . . . 0.0 110.005 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -91.07 -31.38 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.84 -36.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.186 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.231 178.797 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 p90 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -95.47 147.14 23.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.977 0.418 . . . . 0.0 110.364 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.75 -35.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.904 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.95 -41.46 96.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.23 -36.99 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.385 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.92 -21.73 59.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.962 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.38 -23.71 27.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.683 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.673 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.833 0.264 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 p -124.7 96.48 40.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.99 119.14 6.13 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.11 2.54 . . . . 0.0 112.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -77.56 -39.77 44.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.088 0.47 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -56.09 -38.89 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.341 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.23 -31.12 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -87.14 -26.62 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.282 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 12' ' ' ALA . 62.7 mt -72.54 -55.13 14.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.703 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.183 -175.107 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.5 p90 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -95.56 102.88 14.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 110.975 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.31 -40.17 25.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.288 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -64.71 -28.17 69.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -62.34 -36.28 81.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.995 0.426 . . . . 0.0 110.698 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.32 -2.49 42.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -100.39 -46.1 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.1 0.476 . . . . 0.0 110.375 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.336 -176.805 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 121.193 0.414 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -142.84 84.22 10.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.702 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.51 118.52 5.41 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.78 2.32 . . . . 0.0 112.089 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -89.52 -40.9 12.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.399 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -66.35 -45.24 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.93 -37.21 81.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -81.15 -26.23 36.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.383 . . . . 0.0 110.539 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -74.41 -32.97 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 110.253 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 12' ' ' ALA . 68.3 mt -63.16 -35.49 72.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.565 174.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 172.383 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.09 113.97 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 0.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.57 -25.8 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.138 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -59.9 -32.86 71.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.224 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.64 -20.44 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -85.71 -14.88 44.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.357 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -100.16 -49.23 4.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.458 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.788 0.328 . . . . 0.0 110.815 -177.519 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 C--O 1.232 0.224 0 CA-C-O 121.102 0.376 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -157.5 107.45 1.83 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.463 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.98 120.42 5.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.058 2.505 . . . . 0.0 112.114 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.445 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 15.1 m -89.89 -21.08 22.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 111.666 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -71.9 -34.53 69.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.718 0.294 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HE ' ' HA ' ' A' ' 11' ' ' THR . 62.5 mtm180 -68.53 -25.8 65.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.369 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -72.49 -30.65 64.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.826 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -75.52 -42.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.109 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.688 -178.586 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.9 p90 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -71.86 148.08 46.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.326 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 24' ' ' VAL . 14.3 t -74.41 -0.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.992 -170.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 54.9 mtp180 -59.13 -37.56 77.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.199 -0.313 . . . . 0.0 111.481 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -76.76 -9.18 58.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.896 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 t -94.22 -0.64 55.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.2 ptm180 -69.18 -30.68 68.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.226 0.536 . . . . 0.0 109.932 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.478 176.891 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo . . . . . 0 C--O 1.234 0.298 0 CA-C-O 120.906 0.294 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 m -59.87 131.81 89.16 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.978 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 118.59 4.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.095 2.53 . . . . 0.0 112.337 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 13.5 t -88.07 -20.08 26.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -174.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 -47.43 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -64.24 -38.47 91.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.176 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -87.33 -45.5 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.404 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.78 -56.27 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.254 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.145 -178.871 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -75.84 124.21 26.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -62.71 -13.9 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.201 -172.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -57.64 -35.59 70.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -69.33 -39.63 78.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.74 -26.59 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.171 0.51 . . . . 0.0 110.204 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -78.27 -35.34 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.071 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.033 -178.256 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.231 0.171 0 N-CA-C 112.899 0.307 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.6 m -126.72 84.27 63.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.558 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.52 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 5.7 Cg_exo -77.36 126.04 8.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.033 2.489 . . . . 0.0 111.631 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -61.92 -34.12 75.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.986 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.59 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.045 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -77.39 -36.52 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 10' ' ' PRO . 62.8 mtp180 -66.83 -24.55 66.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 0.0 110.489 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.78 -30.32 69.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.7 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -87.16 -43.59 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.052 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.912 178.043 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 18.4 tpt180 -87.66 125.76 34.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.6 t -62.39 -23.2 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.216 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.6 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 23' ' ' ARG . 57.8 m -69.37 -25.14 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.323 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.49 -16.92 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.328 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -86.56 -33.64 20.18 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.53 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo . . . . . 0 C--O 1.235 0.354 0 CA-C-O 120.934 0.306 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -119.62 94.65 48.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.47 118.7 4.27 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.392 2.728 . . . . 0.0 112.909 -176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 35.5 m -66.24 -33.92 76.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.07 84.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.959 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -77.45 -27.51 52.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.482 . . . . 0.0 110.731 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -87.6 -6.14 58.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.557 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 11' ' ' THR . 30.6 tt0 -95.7 15.54 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.688 . . . . 0.0 109.913 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.72 -45.45 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.008 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.514 176.299 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.557 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.3 mmt180 -100.34 144.2 29.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.018 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.86 -40.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -61.13 -29.77 69.97 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.714 -176.432 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 8.9 p -66.74 -43.08 85.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.89 -14.25 62.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.48 . . . . 0.0 110.767 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -86.99 -28.19 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.688 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 pt . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.134 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 N--CA 1.466 -0.1 0 CA-C-O 121.139 0.391 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -147.78 113.65 3.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.303 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.88 117.62 4.28 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.201 1.934 . . . . 0.0 111.332 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 m -86.32 -22.78 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.241 0.543 . . . . 0.0 110.661 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.3 -8.13 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.307 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -62.37 -44.53 96.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.31 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -86.08 7.68 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.05 0.453 . . . . 0.0 110.714 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -100.07 -44.37 6.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -73.67 -42.17 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.28 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HE1' ' HG ' ' A' ' 27' ' ' CYS . 46.5 p90 . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 10.7 mmp_? -81.84 101.41 10.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 110.626 -175.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.68 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 22.8 t -65.57 -24.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.813 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -58.58 -30.19 66.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.8 t -81.97 -50.18 9.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 24' ' ' VAL . 4.8 p -72.63 -35.06 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.632 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.429 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 14.6 tpt180 -85.15 -20.26 30.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.454 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 81.3 mt . . . . . 0 N--CA 1.47 0.526 0 C-N-CA 123.227 0.611 . . . . 0.0 111.291 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 121.178 0.407 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -134.47 91.15 22.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.776 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 123.99 15.15 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 112.248 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -68.03 -30.5 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -66.1 -29.73 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -67.42 -37.63 83.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.833 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -79.04 -25.06 43.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.354 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -64.32 -29.66 70.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.499 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 12' ' ' ALA . 50.8 mm -67.85 -33.84 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.248 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.553 177.844 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 p90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.8 mmp_? -100.92 139.25 36.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.896 0.379 . . . . 0.0 110.347 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.46 -2.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.908 -175.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -81.38 -12.11 59.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.262 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -64.69 -19.45 65.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.635 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.1 p -63.43 -25.37 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.758 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.96 -16.07 42.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.404 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 C--O 1.233 0.241 0 CA-C-O 121.061 0.359 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -139.99 89.63 11.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.324 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.01 144.29 99.52 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.095 2.53 . . . . 0.0 112.542 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -110.16 5.45 21.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.526 0.679 . . . . 0.0 109.876 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.49 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.925 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -73.51 -27.69 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.653 0.263 . . . . 0.0 110.81 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -67.98 -28.95 67.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.22 -16.12 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.5 mt -96.9 -38.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.138 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.16 -177.044 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 p90 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.484 ' H ' ' HD2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.78 114.11 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.574 0.702 . . . . 0.0 111.243 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 42.8 t -88.16 -19.69 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.174 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -53.06 -38.72 62.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.331 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -69.01 -37.15 78.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m -77.31 -4.85 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 96.8 mtt180 -86.67 -31.62 20.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.368 177.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 tt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.747 179.537 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.994 0.331 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.5 t -109.32 117.74 52.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.199 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.59 142.29 95.57 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.628 2.219 . . . . 0.0 111.852 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 m -59.9 -38.85 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.225 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.879 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.3 -42.48 88.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.011 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.58 -19.25 60.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.716 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -84.12 -38.63 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.405 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mm -70.67 -32.62 49.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 172.173 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -100.37 99.43 10.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.08 0.466 . . . . 0.0 110.608 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -69.59 -18.7 22.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.777 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -60.83 -46.84 88.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.3 p -81.35 -15.18 56.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.004 0.431 . . . . 0.0 110.492 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 t -75.6 -26.18 57.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.756 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -82.09 -22.08 36.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.563 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.489 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 45.2 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 121.525 0.552 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.7 m -94.47 101.8 7.42 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.029 172.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 8' ' ' PRO . 14.7 Cg_exo -69.43 123.52 10.29 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.859 2.373 . . . . 0.0 112.053 -177.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -99.26 -40.67 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.943 0.402 . . . . 0.0 110.703 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -73.59 -43.86 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.312 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.02 -31.96 72.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -68.96 -31.23 69.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.223 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -74.99 -28.75 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 12' ' ' ALA . 46.7 mm -72.03 -45.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.138 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.139 179.674 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -79.89 115.7 19.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.59 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.047 -175.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -56.95 -40.62 76.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.054 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.98 -29.28 70.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.993 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -92.76 -23.64 18.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -177.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -94.61 -54.06 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.813 0.339 . . . . 0.0 111.539 -176.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 121.499 0.666 . . . . 0.0 110.606 -174.701 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.651 0.263 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.13 -140.25 10.21 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.71 23.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.166 0.507 . . . . 0.0 110.399 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -79.56 121.99 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.9 m -91.78 -6.27 52.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.199 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 97.7 m95 64.89 36.05 8.0 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.845 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.62 143.51 18.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.527 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.66 -41.71 74.92 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.676 2.251 . . . . 0.0 111.878 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.9 t -144.27 83.95 9.71 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.735 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.73 118.86 5.91 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.975 2.45 . . . . 0.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.2 m -89.99 -40.99 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.61 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.659 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.99 -39.78 86.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.826 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -73.99 -30.23 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.577 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.05 -29.04 63.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.305 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.5 -48.72 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.873 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.28 75.34 2.21 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.982 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -144.21 118.4 9.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.931 0.396 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.62 39.66 3.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.406 0.622 . . . . 0.0 110.294 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.13 85.4 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.852 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -81.24 7.13 12.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.193 0.521 . . . . 0.0 110.567 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.78 143.31 27.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -97.96 99.09 10.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.249 0.547 . . . . 0.0 110.771 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.49 -44.6 98.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.942 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -62.53 -45.29 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.32 -41.98 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.205 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.6 t -75.12 -15.79 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.256 0.551 . . . . 0.0 110.17 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.39 -39.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.881 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.436 -0.793 . . . . 0.0 110.055 -179.001 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.566 0.222 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.42 -152.53 21.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.665 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.83 -51.36 9.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.017 0.437 . . . . 0.0 110.077 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 mm -83.2 89.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.548 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.2 t -73.81 -12.33 60.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.25 -15.98 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.11 116.99 1.09 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.548 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.42 -30.22 44.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.582 2.188 . . . . 0.0 111.441 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.56 83.24 31.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.832 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.93 118.99 5.96 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.198 2.599 . . . . 0.0 112.663 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -87.39 -40.14 14.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.57 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.094 0.473 . . . . 0.0 110.387 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.39 -32.53 73.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.61 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -66.05 -25.36 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -69.95 -26.69 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 0.0 110.26 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.16 -39.86 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.068 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.8 5.65 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.375 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.557 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 52.0 m-80 -127.33 -103.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.806 -0.232 . . . . 0.0 110.552 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t 49.1 55.44 9.31 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.352 0.596 . . . . 0.0 111.422 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 34.56 6.88 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.053 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 22.6 mmm180 -82.82 -33.71 27.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 110.0 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -125.59 137.69 53.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.737 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 2.1 mmp_? -101.78 111.99 24.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.147 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.95 -30.77 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -67.46 -36.67 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.128 0.489 . . . . 0.0 110.306 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 61.4 m -73.92 -22.94 59.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.0 m -84.23 -33.09 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -67.0 -50.47 62.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.296 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.36 102.62 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 56.6 mtp180 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.879 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.928 0.394 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.97 -179.34 39.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.728 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.06 -43.63 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 109.989 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 4' ' ' ILE . 7.9 tp -73.22 108.49 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 121.613 0.721 . . . . 0.0 109.569 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.4 m -91.56 -36.94 13.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.678 -172.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -131.06 131.54 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.665 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 71.9 0.95 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.786 -0.643 . . . . 0.0 113.128 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.43 -31.06 72.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.554 2.169 . . . . 0.0 110.919 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.3 m -122.93 97.11 44.2 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.133 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.42 131.42 40.6 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 112.464 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -71.88 -23.93 61.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.109 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.62 84.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.079 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.18 -26.96 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -72.37 -16.88 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 109.895 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -89.77 -32.51 16.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.871 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.42 -48.23 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.78 124.05 4.57 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.75 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -127.59 -54.16 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.015 0.436 . . . . 0.0 110.363 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.7 m -84.53 65.56 9.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.302 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.9 16.79 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.765 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 3.5 mmp_? -98.87 13.0 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 0.0 110.68 -178.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -88.68 155.73 19.43 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.049 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -86.78 119.7 27.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.315 0.579 . . . . 0.0 110.713 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.71 -25.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.271 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -63.61 -19.79 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.839 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.65 -39.17 16.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.86 -27.96 62.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HD2' ' C ' ' A' ' 28' ' ' ARG . 3.8 ppt_? -68.03 -15.02 63.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.9 14.11 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.692 0.758 . . . . 0.0 109.813 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.019 -178.425 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.68 -107.9 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 O-C-N 123.39 0.431 . . . . 0.0 112.954 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.46 -16.09 24.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.9 mp -92.16 92.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.267 0.556 . . . . 0.0 110.129 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -115.71 -36.1 4.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.896 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -138.1 116.15 11.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.516 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.95 164.39 15.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.047 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.11 -25.28 80.87 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.977 2.452 . . . . 0.0 111.942 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.72 135.93 22.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.267 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.96 118.91 5.87 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.589 2.192 . . . . 0.0 112.15 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.8 m -63.94 -39.82 95.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.36 95.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.875 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -66.79 -31.66 72.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.3 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.29 -28.54 65.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.758 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -83.2 -38.74 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.147 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -80.35 -35.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.767 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.21 100.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.954 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -124.75 121.93 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.7 m -63.52 110.35 1.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.013 0.435 . . . . 0.0 109.99 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.73 -36.96 2.62 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 3.4 mmp_? -86.89 -29.82 21.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -115.36 99.2 7.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.853 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.4 ptt180 -98.45 89.42 4.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.604 0.716 . . . . 0.0 110.832 -174.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m -85.92 -16.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.839 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.2 tpp180 -85.83 -16.88 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 61.4 m -84.71 -2.87 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.42 -9.38 58.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 0.0 111.329 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 39.3 ptt180 -97.57 -9.95 26.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.442 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 pt -123.91 132.19 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.4 . . . . 0.0 111.333 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.346 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.3 m120 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.05 -164.31 13.75 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.269 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.47 -39.6 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 6' ' ' TRP . 44.5 mt -84.11 129.61 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.1 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.81 -23.95 41.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.782 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.414 ' H ' HG22 ' A' ' 4' ' ' ILE . 89.7 m95 61.1 29.58 18.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.481 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.54 114.17 0.62 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.438 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.3 -23.49 59.11 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.691 2.26 . . . . 0.0 111.88 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -73.23 124.78 90.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.251 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.65 120.88 8.26 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.458 2.106 . . . . 0.0 111.912 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m -66.4 -39.6 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.942 -176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.74 -26.75 65.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.72 -31.26 64.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.962 0.41 . . . . 0.0 110.341 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -75.66 -2.64 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.93 -18.05 56.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.483 0.658 . . . . 0.0 109.35 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.2 mt -86.48 -30.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.719 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 -145.85 38.46 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.494 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -114.09 -76.28 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.5 m -144.21 68.02 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.28 31.04 5.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.023 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -89.74 -43.14 10.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.299 0.571 . . . . 0.0 109.562 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -91.18 140.53 29.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.097 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -88.19 87.76 7.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.415 0.626 . . . . 0.0 109.907 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.6 -37.55 74.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.981 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.32 -50.94 71.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.417 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -68.51 -40.86 80.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.347 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.66 -28.85 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -76.35 -43.9 38.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.85 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.7 tt -71.97 -35.39 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.136 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.663 177.397 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.7 m120 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.705 0.288 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.55 -118.46 11.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.531 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.46 -29.42 46.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 110.228 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mm -86.81 89.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.41 0.624 . . . . 0.0 110.45 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 p -113.37 13.86 19.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.421 172.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -150.34 146.15 26.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.054 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.57 -113.01 1.11 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.755 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -62.5 -35.36 71.83 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 m -124.24 78.75 60.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.412 . . . . 0.0 111.137 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 13' ' ' PHE . 5.8 Cg_exo -75.55 119.89 5.68 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 123.157 2.571 . . . . 0.0 111.439 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -90.03 -42.94 10.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.114 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 20' ' ' GLY . . . -91.58 -25.23 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.132 0.492 . . . . 0.0 111.365 -177.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' PRO . 91.7 t80 -70.67 -27.87 64.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 10' ' ' PRO . 95.7 mtt180 -87.72 -11.06 49.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -100.83 -61.7 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.435 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 32.7 mt -101.67 -40.87 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.068 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.24 47.94 0.79 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.942 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 65.02 63.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.528 0.68 . . . . 0.0 110.331 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 t -170.89 44.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.911 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' O ' ' HB1' ' A' ' 12' ' ' ALA . . . 109.08 173.77 21.2 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.43 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -100.7 -48.7 4.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.541 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -124.14 149.45 46.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.215 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.6 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 30.2 mtt180 -100.21 116.72 32.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.332 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.54 -37.07 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.402 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -63.53 -34.19 77.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.116 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.6 ' SG ' ' HD2' ' A' ' 23' ' ' ARG . 80.2 m -75.88 -17.18 59.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.612 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.7 t -74.98 -23.97 58.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -100.86 -57.27 2.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.456 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 pt -114.81 -43.97 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 59.2 ttt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.516 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.31 50.55 0.85 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.195 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.01 -60.51 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.641 0.258 . . . . 0.0 111.18 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 pt -139.42 99.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.219 0.533 . . . . 0.0 111.368 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 p -86.76 -14.55 42.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.183 0.516 . . . . 0.0 110.513 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -130.39 164.73 24.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.94 159.04 9.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.902 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.44 -29.51 69.07 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.176 2.584 . . . . 0.0 112.347 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.22 99.86 52.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.611 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.98 132.21 50.22 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.023 2.482 . . . . 0.0 112.572 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -70.59 -30.84 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.548 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -71.99 -40.23 68.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.523 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.56 -24.05 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.487 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -66.01 -29.17 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.278 0.561 . . . . 0.0 109.902 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.88 -26.27 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.888 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 12' ' ' ALA . 47.5 mm -72.19 -31.42 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.681 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.55 -133.63 11.94 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -112.24 24.81 12.17 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.482 0.658 . . . . 0.0 109.673 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -88.89 24.37 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.656 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.64 135.68 15.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.116 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.82 -30.57 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 110.074 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -134.05 138.27 45.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.692 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -100.15 121.71 41.84 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -70.08 -18.91 22.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.712 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.7 p -72.56 -18.19 61.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.4 t -96.31 1.15 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.312 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -86.54 -65.6 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.853 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 tt -146.37 83.44 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 122.016 0.912 . . . . 0.0 111.642 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.817 173.654 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.785 0.326 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.09 -146.0 16.13 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.59 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.47 63.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.628 0.252 . . . . 0.0 111.112 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mt -79.94 88.98 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.226 0.536 . . . . 0.0 110.207 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.588 ' HG ' ' HZ ' ' A' ' 13' ' ' PHE . 17.1 t -107.19 -15.46 14.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.929 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -115.74 115.51 26.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.377 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 -153.19 29.87 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.22 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.54 -31.39 60.6 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.076 2.518 . . . . 0.0 112.815 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.8 t -149.01 89.69 4.87 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.394 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.78 118.16 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.456 2.104 . . . . 0.0 111.093 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -100.83 -41.46 6.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.06 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HZ ' ' HG ' ' A' ' 5' ' ' CYS . 60.9 m-85 -68.99 -20.6 64.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -78.54 -13.53 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 110.27 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -96.51 -35.86 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.926 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.37 -49.57 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.659 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.67 -170.24 42.13 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.652 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -110.46 144.06 39.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.3 p -77.8 -7.31 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.17 56.37 4.0 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.169 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -88.41 -21.26 24.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.521 0.676 . . . . 0.0 109.513 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -94.83 166.68 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.821 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -96.12 128.52 43.09 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.008 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.29 -18.31 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.039 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -58.41 -36.15 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.377 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.0 m -67.8 -30.04 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 m -86.93 -29.95 21.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -70.64 -30.7 67.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.06 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.7 pt -77.56 -7.63 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.909 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.122 177.312 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.76 -87.13 1.55 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.867 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -48.07 67.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.29 105.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 52.5 t -76.79 -36.5 56.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.332 -175.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -81.27 122.83 27.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 -139.85 5.1 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.92 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.25 -36.67 27.35 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.627 2.218 . . . . 0.0 111.979 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 8.7 p -144.2 112.46 5.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.905 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.2 Cg_exo -70.6 120.74 7.33 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.653 2.236 . . . . 0.0 112.062 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -66.26 -35.35 80.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.247 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.93 59.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 10' ' ' PRO . 57.5 t80 -64.92 -19.57 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -64.99 -28.59 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.285 0.564 . . . . 0.0 110.005 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -91.07 -31.38 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.84 -36.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.186 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.76 78.11 2.04 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.231 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -88.43 -28.61 20.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.026 0.441 . . . . 0.0 109.85 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.3 p -85.58 145.41 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.173 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.56 100.83 2.29 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.709 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -72.59 -28.83 63.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.307 0.575 . . . . 0.0 109.902 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -107.39 168.48 9.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.987 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -95.47 147.14 23.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.977 0.418 . . . . 0.0 110.364 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.75 -35.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.904 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.95 -41.46 96.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.23 -36.99 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.385 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.92 -21.73 59.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.962 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.38 -23.71 27.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.683 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 30' ' ' ARG . 7.9 tp -93.28 -50.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.673 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' N ' HG23 ' A' ' 29' ' ' ILE . 19.8 tpp180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.984 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.659 0.266 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.62 -138.71 5.19 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.294 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.38 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.84 110.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.41 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.69 6.14 49.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.361 0.601 . . . . 0.0 110.254 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.449 ' NE1' ' HB3' ' A' ' 10' ' ' PRO . 21.2 t90 -74.59 112.16 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.421 176.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.92 -129.97 2.64 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.603 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -62.2 -30.83 82.36 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.752 2.301 . . . . 0.0 112.313 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 p -124.7 96.48 40.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HB3' ' NE1' ' A' ' 6' ' ' TRP . 35.7 Cg_exo -60.99 119.14 6.13 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.11 2.54 . . . . 0.0 112.842 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -77.56 -39.77 44.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.088 0.47 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -56.09 -38.89 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.341 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.23 -31.12 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -87.14 -26.62 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.282 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 12' ' ' ALA . 62.7 mt -72.54 -55.13 14.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.703 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.183 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.02 116.98 1.52 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.6 t 59.42 36.95 23.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.345 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.55 54.57 10.06 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.406 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -66.27 -31.32 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 111.016 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.19 144.4 26.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.778 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -95.56 102.88 14.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 110.975 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.31 -40.17 25.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.288 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -64.71 -28.17 69.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -62.34 -36.28 81.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.995 0.426 . . . . 0.0 110.698 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.32 -2.49 42.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -100.39 -46.1 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.1 0.476 . . . . 0.0 110.375 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -112.64 121.41 64.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.336 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.293 178.198 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.516 0.198 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.1 -80.25 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.371 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.95 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 0.0 110.313 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.5 mm -102.67 108.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.686 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.7 m -103.32 14.86 30.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.268 0.556 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -99.48 125.83 45.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.912 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.18 -146.43 4.48 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.94 -22.18 68.57 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.736 2.291 . . . . 0.0 111.818 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -142.84 84.22 10.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.702 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.51 118.52 5.41 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.78 2.32 . . . . 0.0 112.089 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -89.52 -40.9 12.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.399 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -66.35 -45.24 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.93 -37.21 81.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -81.15 -26.23 36.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.383 . . . . 0.0 110.539 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -74.41 -32.97 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 110.253 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 12' ' ' ALA . 68.3 mt -63.16 -35.49 72.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.565 174.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.95 98.74 0.99 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -81.99 179.47 7.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.821 0.343 . . . . 0.0 111.508 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 p -62.64 -59.25 5.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.195 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.77 142.3 7.51 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.778 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.57 -24.54 36.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.453 0.644 . . . . 0.0 110.029 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -101.85 -160.31 0.78 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.697 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.09 113.97 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 0.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.57 -25.8 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.138 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -59.9 -32.86 71.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.224 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.64 -20.44 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -85.71 -14.88 44.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.357 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -100.16 -49.23 4.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.458 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 pt -94.87 159.0 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.788 0.328 . . . . 0.0 110.815 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.077 178.654 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.035 0.445 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.75 91.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.111 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.05 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.86 0.362 . . . . 0.0 110.768 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.3 pt -132.16 125.84 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.125 0.488 . . . . 0.0 111.019 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.8 m -110.22 14.63 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.333 0.587 . . . . 0.0 110.358 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -101.77 36.4 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.3 -178.02 49.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.608 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.02 -32.71 43.69 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.571 2.18 . . . . 0.0 111.601 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -157.5 107.45 1.83 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.463 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.98 120.42 5.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.058 2.505 . . . . 0.0 112.114 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.445 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 15.1 m -89.89 -21.08 22.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 111.666 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -71.9 -34.53 69.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.718 0.294 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HE ' ' HA ' ' A' ' 11' ' ' THR . 62.5 mtm180 -68.53 -25.8 65.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.369 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -72.49 -30.65 64.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.826 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -75.52 -42.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.109 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.93 -56.06 4.93 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.3 t30 64.4 -87.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.527 0.731 . . . . 0.0 111.511 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -67.74 -31.38 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 0.0 110.649 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.38 20.13 48.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.261 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -92.94 -27.98 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -101.66 149.07 24.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.175 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -71.86 148.08 46.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.326 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 24' ' ' VAL . 14.3 t -74.41 -0.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.992 -170.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 54.9 mtp180 -59.13 -37.56 77.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.199 -0.313 . . . . 0.0 111.481 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -76.76 -9.18 58.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.896 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 t -94.22 -0.64 55.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.2 ptm180 -69.18 -30.68 68.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.226 0.536 . . . . 0.0 109.932 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.2 mt -80.93 -53.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.478 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.376 178.905 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.31 -12.65 57.09 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.771 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.91 -10.45 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.98 0.419 . . . . 0.0 110.836 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 tp -89.28 118.2 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.607 0.717 . . . . 0.0 110.562 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.2 m -83.97 -15.87 46.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.617 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -116.22 36.82 3.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.298 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.24 -162.61 11.88 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.249 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -61.98 -29.16 81.51 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.886 2.391 . . . . 0.0 111.997 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 m -59.87 131.81 89.16 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.978 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 118.59 4.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.095 2.53 . . . . 0.0 112.337 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 13.5 t -88.07 -20.08 26.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -174.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 -47.43 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -64.24 -38.47 91.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.176 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -87.33 -45.5 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.404 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.78 -56.27 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.254 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.01 114.71 0.35 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.145 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -159.36 -67.07 0.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 t -164.76 44.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.84 50.21 0.82 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.174 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.544 ' HA ' ' HE ' ' A' ' 21' ' ' ARG . 1.2 mmp_? -104.17 -6.75 20.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 109.861 173.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.34 -175.52 4.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.368 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -75.84 124.21 26.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -62.71 -13.9 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.201 -172.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -57.64 -35.59 70.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -69.33 -39.63 78.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.74 -26.59 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.171 0.51 . . . . 0.0 110.204 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -78.27 -35.34 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.071 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 30' ' ' ARG . 10.3 tp -83.72 -28.01 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.033 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG3' HG23 ' A' ' 29' ' ' ILE . 62.7 mtm180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.463 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.676 0.274 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.3 -110.58 3.43 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.421 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.7 57.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -92.05 98.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.096 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.4 t -97.0 -18.29 19.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.317 0.58 . . . . 0.0 110.0 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -115.15 122.42 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.738 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.64 174.09 22.42 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.164 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.0 -31.16 93.13 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.032 2.488 . . . . 0.0 112.899 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.6 m -126.72 84.27 63.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.558 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.52 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 5.7 Cg_exo -77.36 126.04 8.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.033 2.489 . . . . 0.0 111.631 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -61.92 -34.12 75.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.986 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.59 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.045 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -77.39 -36.52 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 10' ' ' PRO . 62.8 mtp180 -66.83 -24.55 66.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 0.0 110.489 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.78 -30.32 69.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.7 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -87.16 -43.59 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.052 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.71 -130.22 1.75 Allowed Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.912 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -90.72 122.65 33.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.44 0.638 . . . . 0.0 109.867 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.6 m -86.8 67.6 9.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.995 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 51.93 2.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -122.1 3.28 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.995 0.426 . . . . 0.0 110.893 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -122.2 160.1 25.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 18.4 tpt180 -87.66 125.76 34.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.6 t -62.39 -23.2 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.216 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.6 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 23' ' ' ARG . 57.8 m -69.37 -25.14 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.323 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.49 -16.92 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.328 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -86.56 -33.64 20.18 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.56 -55.6 17.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.571 179.455 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.92 62.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.898 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.93 49.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 0.0 110.557 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.6 mt -81.45 89.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.932 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -115.89 1.81 13.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.876 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . 81.2 m95 -109.9 48.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.952 0.406 . . . . 0.0 110.557 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.75 -168.01 41.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.92 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.54 -49.03 2.66 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.679 2.253 . . . . 0.0 111.939 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -119.62 94.65 48.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HB3' ' HB2' ' A' ' 6' ' ' TRP . 89.3 Cg_exo -50.47 118.7 4.27 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.392 2.728 . . . . 0.0 112.909 -176.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 35.5 m -66.24 -33.92 76.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.07 84.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.959 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -77.45 -27.51 52.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.482 . . . . 0.0 110.731 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -87.6 -6.14 58.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.557 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 11' ' ' THR . 30.6 tt0 -95.7 15.54 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.688 . . . . 0.0 109.913 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.72 -45.45 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.008 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.83 99.69 1.16 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.514 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -75.28 -66.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.722 0.296 . . . . 0.0 111.436 -176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.24 153.85 51.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.457 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 8.05 68.53 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.894 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.51 -38.87 59.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -125.2 146.91 49.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.586 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.557 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.3 mmt180 -100.34 144.2 29.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.018 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.86 -40.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -61.13 -29.77 69.97 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.714 -176.432 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 8.9 p -66.74 -43.08 85.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.89 -14.25 62.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.48 . . . . 0.0 110.767 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -86.99 -28.19 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.688 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 pt -102.67 -23.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.053 178.933 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.765 0.317 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.62 27.63 29.12 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.168 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.12 23.83 9.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 pt -76.77 130.42 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.384 0.612 . . . . 0.0 110.803 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.38 -14.11 17.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.871 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -119.5 135.54 54.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.836 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.88 -165.11 30.13 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.52 -40.02 78.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.629 2.22 . . . . 0.0 111.327 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -147.78 113.65 3.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.303 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.88 117.62 4.28 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.201 1.934 . . . . 0.0 111.332 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 m -86.32 -22.78 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.241 0.543 . . . . 0.0 110.661 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.3 -8.13 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.307 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -62.37 -44.53 96.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.31 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 18' ' ' ASN . 79.8 mtm180 -86.08 7.68 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.05 0.453 . . . . 0.0 110.714 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -100.07 -44.37 6.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -73.67 -42.17 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.02 12.07 58.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.28 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 59.4 t30 -77.4 130.16 36.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' HG ' ' HE2' ' A' ' 22' ' ' PHE . 13.6 t -74.28 81.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 110.778 -176.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.72 31.03 3.63 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -80.11 -24.73 40.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.221 0.534 . . . . 0.0 110.135 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.499 ' HE2' ' HG ' ' A' ' 19' ' ' CYS . 46.5 p90 -90.41 163.07 14.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.327 176.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 10.7 mmp_? -81.84 101.41 10.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 110.626 -175.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.68 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 22.8 t -65.57 -24.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.813 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -58.58 -30.19 66.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.8 t -81.97 -50.18 9.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 24' ' ' VAL . 4.8 p -72.63 -35.06 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.632 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 14.6 tpt180 -85.15 -20.26 30.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.454 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 81.3 mt 75.44 -51.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.227 0.611 . . . . 0.0 111.291 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 C--O 1.25 1.098 0 O-C-N 123.675 0.609 . . . . 0.0 110.481 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.551 0.215 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.35 164.83 13.25 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.43 91.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.123 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.6 pt -81.01 152.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.434 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.9 m -96.58 15.17 22.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.79 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -138.46 179.53 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.077 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.68 -152.81 7.33 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.34 -22.38 66.26 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.857 2.372 . . . . 0.0 111.926 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -134.47 91.15 22.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.776 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 123.99 15.15 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 112.248 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -68.03 -30.5 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -66.1 -29.73 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -67.42 -37.63 83.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.833 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -79.04 -25.06 43.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.354 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -64.32 -29.66 70.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.499 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 12' ' ' ALA . 50.8 mm -67.85 -33.84 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.248 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.36 76.65 2.22 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.553 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -75.14 -55.72 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.708 0.289 . . . . 0.0 111.477 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -142.89 152.9 42.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.755 0.312 . . . . 0.0 110.529 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.35 -40.35 2.51 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.796 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -75.4 -11.61 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -87.56 158.67 18.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.8 mmp_? -100.92 139.25 36.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.896 0.379 . . . . 0.0 110.347 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.46 -2.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.908 -175.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -81.38 -12.11 59.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.262 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -64.69 -19.45 65.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.635 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.1 p -63.43 -25.37 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.758 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.96 -16.07 42.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.28 -47.35 13.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.447 -179.581 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.338 0.125 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.81 -179.34 41.2 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.447 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.17 28.63 4.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 110.845 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.6 pt -88.11 99.38 8.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.91 -21.35 60.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.743 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -80.5 -23.6 40.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 0.0 109.71 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.35 166.17 36.56 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.634 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.85 -43.02 10.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.749 2.3 . . . . 0.0 111.545 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -139.99 89.63 11.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.324 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.01 144.29 99.52 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.095 2.53 . . . . 0.0 112.542 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -110.16 5.45 21.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.526 0.679 . . . . 0.0 109.876 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.49 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.925 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -73.51 -27.69 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.653 0.263 . . . . 0.0 110.81 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -67.98 -28.95 67.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.22 -16.12 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.5 mt -96.9 -38.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.138 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.85 72.2 2.61 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.16 -177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -165.65 169.0 15.75 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.0 m -117.36 63.47 0.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.226 0.536 . . . . 0.0 110.81 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.97 49.21 55.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.386 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -79.85 -27.86 40.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.042 0.448 . . . . 0.0 110.563 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -133.13 174.55 10.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.008 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.484 ' H ' ' HD2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.78 114.11 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.574 0.702 . . . . 0.0 111.243 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 42.8 t -88.16 -19.69 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.174 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -53.06 -38.72 62.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.331 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -69.01 -37.15 78.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m -77.31 -4.85 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 96.8 mtt180 -86.67 -31.62 20.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.368 177.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 tt -99.25 -38.03 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.747 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.945 178.186 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.27 37.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.147 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.13 63.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 0.0 111.07 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.95 89.23 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.161 0.505 . . . . 0.0 110.017 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.8 m -72.59 -37.44 68.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.833 177.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -140.06 -51.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.861 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.33 -147.14 11.4 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.996 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.01 -34.09 39.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.732 2.288 . . . . 0.0 112.044 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.5 t -109.32 117.74 52.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.199 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.59 142.29 95.57 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.628 2.219 . . . . 0.0 111.852 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 m -59.9 -38.85 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.225 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.879 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.3 -42.48 88.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.011 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.58 -19.25 60.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.716 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -84.12 -38.63 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.405 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mm -70.67 -32.62 49.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.98 83.99 0.17 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -179.23 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 m -63.22 106.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.661 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.57 7.31 45.63 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -85.78 -38.04 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.902 0.382 . . . . 0.0 110.637 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -105.26 165.27 11.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.331 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -100.37 99.43 10.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.08 0.466 . . . . 0.0 110.608 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -69.59 -18.7 22.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.777 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -60.83 -46.84 88.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.3 p -81.35 -15.18 56.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.004 0.431 . . . . 0.0 110.492 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 t -75.6 -26.18 57.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.756 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -82.09 -22.08 36.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -73.38 122.76 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.563 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.276 179.169 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 17.5 m120 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.89 -66.39 2.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.769 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.16 -46.11 10.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.682 0.277 . . . . 0.0 111.438 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 1' ' ' ASN . 30.0 pt -116.57 155.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.107 0.479 . . . . 0.0 111.336 -175.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.2 p -105.54 -11.46 16.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.154 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -151.61 163.37 39.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.088 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.87 -116.6 0.67 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.403 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.489 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 45.2 Cg_exo -58.05 -25.66 71.71 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.45 2.1 . . . . 0.0 110.802 172.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.7 m -94.47 101.8 7.42 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.029 172.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 8' ' ' PRO . 14.7 Cg_exo -69.43 123.52 10.29 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.859 2.373 . . . . 0.0 112.053 -177.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -99.26 -40.67 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.943 0.402 . . . . 0.0 110.703 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -73.59 -43.86 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.312 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.02 -31.96 72.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -68.96 -31.23 69.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.223 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -74.99 -28.75 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 12' ' ' ALA . 46.7 mm -72.03 -45.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.138 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.55 -69.2 1.42 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.139 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 66.95 -73.77 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.633 0.773 . . . . 0.0 111.612 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.1 m -98.12 26.29 5.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.295 0.569 . . . . 0.0 110.368 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.55 99.34 0.38 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.38 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -85.07 6.93 23.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.687 0.756 . . . . 0.0 109.9 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -132.91 -178.19 4.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.349 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -79.89 115.7 19.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.59 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.047 -175.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -56.95 -40.62 76.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.054 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.98 -29.28 70.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.993 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -92.76 -23.64 18.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -177.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -94.61 -54.06 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.813 0.339 . . . . 0.0 111.539 -176.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.37 82.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.499 0.666 . . . . 0.0 110.606 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.813 176.106 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.232 0.207 0 CA-C-O 120.844 0.268 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.9 t -144.27 83.95 9.71 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.735 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.73 118.86 5.91 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.975 2.45 . . . . 0.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.2 m -89.99 -40.99 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.61 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.659 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.99 -39.78 86.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.826 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -73.99 -30.23 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.577 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.05 -29.04 63.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.305 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.5 -48.72 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.873 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.982 179.337 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -97.96 99.09 10.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.249 0.547 . . . . 0.0 110.771 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.49 -44.6 98.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.942 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -62.53 -45.29 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.32 -41.98 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.205 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.6 t -75.12 -15.79 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.256 0.551 . . . . 0.0 110.17 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.881 -179.397 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 121.438 0.516 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.56 83.24 31.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.832 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.93 118.99 5.96 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.198 2.599 . . . . 0.0 112.663 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -87.39 -40.14 14.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.57 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.094 0.473 . . . . 0.0 110.387 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.39 -32.53 73.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.61 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -66.05 -25.36 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -69.95 -26.69 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 0.0 110.26 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.16 -39.86 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.068 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.375 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 2.1 mmp_? -101.78 111.99 24.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.147 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.95 -30.77 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -67.46 -36.67 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.128 0.489 . . . . 0.0 110.306 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.92 -22.94 59.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.801 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.0 m -84.23 -33.09 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -67.0 -50.47 62.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.296 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 177.878 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.489 0.537 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.3 m -122.93 97.11 44.2 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.133 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.42 131.42 40.6 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 112.464 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -71.88 -23.93 61.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.109 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.62 84.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.079 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.18 -26.96 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -72.37 -16.88 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 109.895 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -89.77 -32.51 16.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.871 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.42 -48.23 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.75 176.718 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 p90 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -86.78 119.7 27.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.315 0.579 . . . . 0.0 110.713 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.71 -25.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.271 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -63.61 -19.79 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.839 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.65 -39.17 16.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.86 -27.96 62.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HD2' ' C ' ' A' ' 28' ' ' ARG . 3.8 ppt_? -68.03 -15.02 63.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.692 0.758 . . . . 0.0 109.813 -179.428 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.471 0.176 0 CA-C-O 121.359 0.483 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.72 135.93 22.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.267 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.96 118.91 5.87 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.589 2.192 . . . . 0.0 112.15 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.8 m -63.94 -39.82 95.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.36 95.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.875 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -66.79 -31.66 72.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.3 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.29 -28.54 65.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.758 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -83.2 -38.74 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.147 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -80.35 -35.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.767 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.954 -178.107 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.4 ptt180 -98.45 89.42 4.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.604 0.716 . . . . 0.0 110.832 -174.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m -85.92 -16.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.839 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.2 tpp180 -85.83 -16.88 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 61.4 m -84.71 -2.87 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.42 -9.38 58.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 0.0 111.329 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 39.3 ptt180 -97.57 -9.95 26.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.442 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.4 . . . . 0.0 111.333 -177.825 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 121.098 0.374 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -73.23 124.78 90.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.251 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.65 120.88 8.26 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.458 2.106 . . . . 0.0 111.912 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m -66.4 -39.6 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.942 -176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.74 -26.75 65.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.72 -31.26 64.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.962 0.41 . . . . 0.0 110.341 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -75.66 -2.64 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.93 -18.05 56.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.483 0.658 . . . . 0.0 109.35 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.2 mt -86.48 -30.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.719 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.494 -178.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -88.19 87.76 7.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.415 0.626 . . . . 0.0 109.907 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.6 -37.55 74.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.981 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.32 -50.94 71.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.417 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -68.51 -40.86 80.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.347 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.66 -28.85 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -76.35 -43.9 38.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.85 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.136 178.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.872 0.28 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 m -124.24 78.75 60.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.412 . . . . 0.0 111.137 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 13' ' ' PHE . 5.8 Cg_exo -75.55 119.89 5.68 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 123.157 2.571 . . . . 0.0 111.439 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -90.03 -42.94 10.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.114 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.58 -25.23 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.132 0.492 . . . . 0.0 111.365 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' PRO . 91.7 t80 -70.67 -27.87 64.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 10' ' ' PRO . 95.7 mtt180 -87.72 -11.06 49.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -100.83 -61.7 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.435 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 32.7 mt -101.67 -40.87 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.068 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.942 -178.449 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 p90 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.6 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 30.2 mtt180 -100.21 116.72 32.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.332 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.54 -37.07 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.402 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -63.53 -34.19 77.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.116 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.6 ' SG ' ' HD2' ' A' ' 23' ' ' ARG . 80.2 m -75.88 -17.18 59.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.612 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.7 t -74.98 -23.97 58.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -100.86 -57.27 2.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.456 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 pt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.624 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.472 0.244 0 CA-C-O 121.249 0.437 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.22 99.86 52.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.611 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.98 132.21 50.22 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.023 2.482 . . . . 0.0 112.572 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -70.59 -30.84 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.548 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -71.99 -40.23 68.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.523 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.56 -24.05 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.487 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -66.01 -29.17 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.278 0.561 . . . . 0.0 109.902 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.88 -26.27 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.888 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 12' ' ' ALA . 47.5 mm -72.19 -31.42 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.681 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.961 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.457 179.791 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -100.15 121.71 41.84 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -70.08 -18.91 22.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.712 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.7 p -72.56 -18.19 61.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.4 t -96.31 1.15 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.312 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -86.54 -65.6 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.853 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 tt . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 122.016 0.912 . . . . 0.0 111.642 -176.392 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 C--O 1.233 0.253 0 CA-C-O 120.936 0.307 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.8 t -149.01 89.69 4.87 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.394 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.78 118.16 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.456 2.104 . . . . 0.0 111.093 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -100.83 -41.46 6.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.06 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.99 -20.6 64.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -78.54 -13.53 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 110.27 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -96.51 -35.86 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.926 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.37 -49.57 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.659 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.652 -177.21 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -96.12 128.52 43.09 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.008 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.29 -18.31 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.039 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -58.41 -36.15 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.377 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.0 m -67.8 -30.04 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 m -86.93 -29.95 21.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -70.64 -30.7 67.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.06 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.909 178.041 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo . . . . . 0 C--O 1.234 0.3 0 CA-C-O 121.051 0.354 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 8.7 p -144.2 112.46 5.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.905 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HB2' ' HB2' ' A' ' 13' ' ' PHE . 8.2 Cg_exo -70.6 120.74 7.33 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.653 2.236 . . . . 0.0 112.062 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -66.26 -35.35 80.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.247 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.93 59.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 10' ' ' PRO . 57.5 t80 -64.92 -19.57 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -64.99 -28.59 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.285 0.564 . . . . 0.0 110.005 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -91.07 -31.38 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.84 -36.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.186 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.231 178.797 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 p90 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -95.47 147.14 23.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.977 0.418 . . . . 0.0 110.364 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.75 -35.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.904 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.95 -41.46 96.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.23 -36.99 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.385 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.92 -21.73 59.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.962 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.38 -23.71 27.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.683 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.673 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.833 0.264 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 p -124.7 96.48 40.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.99 119.14 6.13 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.11 2.54 . . . . 0.0 112.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -77.56 -39.77 44.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.088 0.47 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -56.09 -38.89 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.341 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.23 -31.12 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -87.14 -26.62 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.282 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 12' ' ' ALA . 62.7 mt -72.54 -55.13 14.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.703 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.183 -175.107 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.5 p90 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -95.56 102.88 14.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 110.975 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.31 -40.17 25.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.288 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -64.71 -28.17 69.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -62.34 -36.28 81.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.995 0.426 . . . . 0.0 110.698 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.32 -2.49 42.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -100.39 -46.1 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.1 0.476 . . . . 0.0 110.375 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.336 -176.805 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 121.193 0.414 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -142.84 84.22 10.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.702 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.51 118.52 5.41 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.78 2.32 . . . . 0.0 112.089 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -89.52 -40.9 12.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.399 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -66.35 -45.24 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.93 -37.21 81.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -81.15 -26.23 36.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.383 . . . . 0.0 110.539 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.41 -32.97 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 110.253 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 12' ' ' ALA . 68.3 mt -63.16 -35.49 72.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.565 174.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 172.383 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.09 113.97 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 0.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.57 -25.8 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.138 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -59.9 -32.86 71.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.224 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.64 -20.44 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -85.71 -14.88 44.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.357 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -100.16 -49.23 4.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.458 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.788 0.328 . . . . 0.0 110.815 -177.519 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 C--O 1.232 0.224 0 CA-C-O 121.102 0.376 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -157.5 107.45 1.83 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.463 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.98 120.42 5.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.058 2.505 . . . . 0.0 112.114 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.445 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 15.1 m -89.89 -21.08 22.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 111.666 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -71.9 -34.53 69.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.718 0.294 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HE ' ' HA ' ' A' ' 11' ' ' THR . 62.5 mtm180 -68.53 -25.8 65.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.369 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -72.49 -30.65 64.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.826 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -75.52 -42.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.109 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.688 -178.586 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.9 p90 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -71.86 148.08 46.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.326 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 24' ' ' VAL . 14.3 t -74.41 -0.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.992 -170.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 54.9 mtp180 -59.13 -37.56 77.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.199 -0.313 . . . . 0.0 111.481 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -76.76 -9.18 58.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.896 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 t -94.22 -0.64 55.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.2 ptm180 -69.18 -30.68 68.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.226 0.536 . . . . 0.0 109.932 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.478 176.891 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo . . . . . 0 C--O 1.234 0.298 0 CA-C-O 120.906 0.294 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 m -59.87 131.81 89.16 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.978 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 118.59 4.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.095 2.53 . . . . 0.0 112.337 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 13.5 t -88.07 -20.08 26.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -174.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 -47.43 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -64.24 -38.47 91.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.176 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -87.33 -45.5 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.78 -56.27 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.254 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.145 -178.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -75.84 124.21 26.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -62.71 -13.9 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.201 -172.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -57.64 -35.59 70.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -69.33 -39.63 78.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.74 -26.59 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.171 0.51 . . . . 0.0 110.204 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -78.27 -35.34 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.071 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.033 -178.256 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.231 0.171 0 N-CA-C 112.899 0.307 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.6 m -126.72 84.27 63.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.558 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.52 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 5.7 Cg_exo -77.36 126.04 8.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.033 2.489 . . . . 0.0 111.631 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -61.92 -34.12 75.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.986 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.59 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.045 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -77.39 -36.52 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 10' ' ' PRO . 62.8 mtp180 -66.83 -24.55 66.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 0.0 110.489 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.78 -30.32 69.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.7 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -87.16 -43.59 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.052 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.912 178.043 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 18.4 tpt180 -87.66 125.76 34.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.6 t -62.39 -23.2 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.216 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.6 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 23' ' ' ARG . 57.8 m -69.37 -25.14 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.323 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.49 -16.92 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.328 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -86.56 -33.64 20.18 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.53 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo . . . . . 0 C--O 1.235 0.354 0 CA-C-O 120.934 0.306 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -119.62 94.65 48.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.47 118.7 4.27 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.392 2.728 . . . . 0.0 112.909 -176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 35.5 m -66.24 -33.92 76.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.07 84.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.959 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -77.45 -27.51 52.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.482 . . . . 0.0 110.731 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -87.6 -6.14 58.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.557 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 11' ' ' THR . 30.6 tt0 -95.7 15.54 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.688 . . . . 0.0 109.913 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.72 -45.45 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.008 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.514 176.299 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.557 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.3 mmt180 -100.34 144.2 29.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.018 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.86 -40.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -61.13 -29.77 69.97 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.714 -176.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 8.9 p -66.74 -43.08 85.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.89 -14.25 62.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.48 . . . . 0.0 110.767 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -86.99 -28.19 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.688 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 pt . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.134 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 N--CA 1.466 -0.1 0 CA-C-O 121.139 0.391 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -147.78 113.65 3.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.303 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.88 117.62 4.28 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.201 1.934 . . . . 0.0 111.332 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 m -86.32 -22.78 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.241 0.543 . . . . 0.0 110.661 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.3 -8.13 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.307 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -62.37 -44.53 96.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.31 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -86.08 7.68 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.05 0.453 . . . . 0.0 110.714 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -100.07 -44.37 6.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -73.67 -42.17 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.28 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HE1' ' HG ' ' A' ' 27' ' ' CYS . 46.5 p90 . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 10.7 mmp_? -81.84 101.41 10.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 110.626 -175.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.68 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 22.8 t -65.57 -24.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.813 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -58.58 -30.19 66.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.8 t -81.97 -50.18 9.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 24' ' ' VAL . 4.8 p -72.63 -35.06 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.632 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.429 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 14.6 tpt180 -85.15 -20.26 30.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.454 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 81.3 mt . . . . . 0 N--CA 1.47 0.526 0 C-N-CA 123.227 0.611 . . . . 0.0 111.291 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 121.178 0.407 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -134.47 91.15 22.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.776 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 123.99 15.15 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 112.248 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -68.03 -30.5 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -66.1 -29.73 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -67.42 -37.63 83.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.833 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -79.04 -25.06 43.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.354 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.32 -29.66 70.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.499 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 12' ' ' ALA . 50.8 mm -67.85 -33.84 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.248 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.553 177.844 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 p90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.8 mmp_? -100.92 139.25 36.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.896 0.379 . . . . 0.0 110.347 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.46 -2.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.908 -175.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -81.38 -12.11 59.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.262 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -64.69 -19.45 65.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.635 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.1 p -63.43 -25.37 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.758 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.96 -16.07 42.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.404 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 C--O 1.233 0.241 0 CA-C-O 121.061 0.359 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -139.99 89.63 11.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.324 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.01 144.29 99.52 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.095 2.53 . . . . 0.0 112.542 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -110.16 5.45 21.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.526 0.679 . . . . 0.0 109.876 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.49 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.925 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -73.51 -27.69 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.653 0.263 . . . . 0.0 110.81 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -67.98 -28.95 67.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.22 -16.12 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.5 mt -96.9 -38.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.138 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.16 -177.044 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 p90 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.484 ' H ' ' HD2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.78 114.11 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.574 0.702 . . . . 0.0 111.243 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 42.8 t -88.16 -19.69 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.174 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -53.06 -38.72 62.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.331 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -69.01 -37.15 78.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m -77.31 -4.85 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 96.8 mtt180 -86.67 -31.62 20.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.368 177.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 tt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.747 179.537 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.994 0.331 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.5 t -109.32 117.74 52.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.199 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.59 142.29 95.57 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.628 2.219 . . . . 0.0 111.852 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 m -59.9 -38.85 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.225 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.879 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.3 -42.48 88.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.011 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.58 -19.25 60.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.716 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -84.12 -38.63 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.405 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mm -70.67 -32.62 49.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 172.173 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -100.37 99.43 10.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.08 0.466 . . . . 0.0 110.608 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -69.59 -18.7 22.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.777 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -60.83 -46.84 88.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.3 p -81.35 -15.18 56.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.004 0.431 . . . . 0.0 110.492 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 t -75.6 -26.18 57.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.756 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -82.09 -22.08 36.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.563 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.489 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 45.2 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 121.525 0.552 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.7 m -94.47 101.8 7.42 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.029 172.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 8' ' ' PRO . 14.7 Cg_exo -69.43 123.52 10.29 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.859 2.373 . . . . 0.0 112.053 -177.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -99.26 -40.67 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.943 0.402 . . . . 0.0 110.703 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -73.59 -43.86 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.312 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.02 -31.96 72.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -68.96 -31.23 69.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.223 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -74.99 -28.75 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 12' ' ' ALA . 46.7 mm -72.03 -45.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.138 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.139 179.674 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -79.89 115.7 19.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.59 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.047 -175.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -56.95 -40.62 76.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.054 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.98 -29.28 70.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.993 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -92.76 -23.64 18.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -177.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -94.61 -54.06 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.813 0.339 . . . . 0.0 111.539 -176.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 121.499 0.666 . . . . 0.0 110.606 -174.701 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.651 0.263 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.13 -140.25 10.21 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.85 -31.71 23.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.166 0.507 . . . . 0.0 110.399 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -79.56 121.99 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.9 m -91.78 -6.27 52.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.199 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 97.7 m95 64.89 36.05 8.0 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.845 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.62 143.51 18.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.527 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.66 -41.71 74.92 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.676 2.251 . . . . 0.0 111.878 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.9 t -144.27 83.95 9.71 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.735 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.73 118.86 5.91 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.975 2.45 . . . . 0.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.2 m -89.99 -40.99 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.61 81.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.659 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.99 -39.78 86.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.826 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -73.99 -30.23 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.577 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.05 -29.04 63.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.305 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.5 -48.72 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.873 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.28 75.34 2.21 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.982 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -144.21 118.4 9.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.931 0.396 . . . . 0.0 110.37 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 p -123.62 39.66 3.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.406 0.622 . . . . 0.0 110.294 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.56 -7.13 85.4 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.852 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -81.24 7.13 12.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.193 0.521 . . . . 0.0 110.567 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -87.78 143.31 27.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -97.96 99.09 10.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.249 0.547 . . . . 0.0 110.771 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.49 -44.6 98.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.942 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -62.53 -45.29 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.32 -41.98 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.205 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.6 t -75.12 -15.79 60.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.256 0.551 . . . . 0.0 110.17 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.39 -39.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.881 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.436 -0.793 . . . . 0.0 110.055 -179.001 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.566 0.222 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.42 -152.53 21.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.665 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.83 -51.36 9.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.017 0.437 . . . . 0.0 110.077 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 mm -83.2 89.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.548 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.2 t -73.81 -12.33 60.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.25 -15.98 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.11 116.99 1.09 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.548 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.42 -30.22 44.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.582 2.188 . . . . 0.0 111.441 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.56 83.24 31.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.832 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.93 118.99 5.96 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.198 2.599 . . . . 0.0 112.663 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -87.39 -40.14 14.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.57 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.094 0.473 . . . . 0.0 110.387 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.39 -32.53 73.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.61 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -66.05 -25.36 67.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -69.95 -26.69 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 0.0 110.26 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.16 -39.86 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.068 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.8 5.65 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.375 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.557 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 52.0 m-80 -127.33 -103.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.806 -0.232 . . . . 0.0 110.552 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t 49.1 55.44 9.31 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.352 0.596 . . . . 0.0 111.422 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 34.56 6.88 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.053 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 22.6 mmm180 -82.82 -33.71 27.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 110.0 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -125.59 137.69 53.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.737 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 2.1 mmp_? -101.78 111.99 24.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.147 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.95 -30.77 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -67.46 -36.67 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.128 0.489 . . . . 0.0 110.306 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 61.4 m -73.92 -22.94 59.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.0 m -84.23 -33.09 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -67.0 -50.47 62.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.296 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.36 102.62 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 26' ' ' CYS . 56.6 mtp180 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.879 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.928 0.394 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.97 -179.34 39.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.728 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.06 -43.63 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 109.989 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 4' ' ' ILE . 7.9 tp -73.22 108.49 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 121.613 0.721 . . . . 0.0 109.569 175.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.4 m -91.56 -36.94 13.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.678 -172.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -131.06 131.54 44.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.665 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 71.9 0.95 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.786 -0.643 . . . . 0.0 113.128 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.43 -31.06 72.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.554 2.169 . . . . 0.0 110.919 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.3 m -122.93 97.11 44.2 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.133 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.42 131.42 40.6 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 112.464 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -71.88 -23.93 61.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.109 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.62 84.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.079 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.18 -26.96 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -72.37 -16.88 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 109.895 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -89.77 -32.51 16.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.871 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.42 -48.23 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.78 124.05 4.57 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.75 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -127.59 -54.16 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.015 0.436 . . . . 0.0 110.363 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.7 m -84.53 65.56 9.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.302 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.9 16.79 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.765 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 3.5 mmp_? -98.87 13.0 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 0.0 110.68 -178.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -88.68 155.73 19.43 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.049 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -86.78 119.7 27.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.315 0.579 . . . . 0.0 110.713 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.71 -25.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.271 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -63.61 -19.79 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.839 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.65 -39.17 16.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.86 -27.96 62.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HD2' ' C ' ' A' ' 28' ' ' ARG . 3.8 ppt_? -68.03 -15.02 63.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.9 14.11 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.692 0.758 . . . . 0.0 109.813 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.019 -178.425 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.68 -107.9 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 O-C-N 123.39 0.431 . . . . 0.0 112.954 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.46 -16.09 24.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.9 mp -92.16 92.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.267 0.556 . . . . 0.0 110.129 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.3 t -115.71 -36.1 4.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.896 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -138.1 116.15 11.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.516 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.95 164.39 15.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.047 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.11 -25.28 80.87 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.977 2.452 . . . . 0.0 111.942 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.72 135.93 22.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.267 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.96 118.91 5.87 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.589 2.192 . . . . 0.0 112.15 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.8 m -63.94 -39.82 95.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.36 95.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.875 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -66.79 -31.66 72.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.3 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.29 -28.54 65.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.758 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -83.2 -38.74 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.147 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -80.35 -35.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.767 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.21 100.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.954 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -124.75 121.93 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.7 m -63.52 110.35 1.94 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.013 0.435 . . . . 0.0 109.99 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.73 -36.96 2.62 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 3.4 mmp_? -86.89 -29.82 21.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -115.36 99.2 7.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.853 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.4 ptt180 -98.45 89.42 4.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.604 0.716 . . . . 0.0 110.832 -174.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m -85.92 -16.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.839 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.2 tpp180 -85.83 -16.88 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 61.4 m -84.71 -2.87 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.42 -9.38 58.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 0.0 111.329 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 39.3 ptt180 -97.57 -9.95 26.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.442 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 pt -123.91 132.19 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.4 . . . . 0.0 111.333 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.346 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.3 m120 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.884 0.373 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.05 -164.31 13.75 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.269 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.47 -39.6 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 6' ' ' TRP . 44.5 mt -84.11 129.61 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.1 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.81 -23.95 41.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.782 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.414 ' H ' HG22 ' A' ' 4' ' ' ILE . 89.7 m95 61.1 29.58 18.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.481 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.54 114.17 0.62 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.438 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.3 -23.49 59.11 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.691 2.26 . . . . 0.0 111.88 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -73.23 124.78 90.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.251 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.65 120.88 8.26 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.458 2.106 . . . . 0.0 111.912 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m -66.4 -39.6 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.942 -176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.74 -26.75 65.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.72 -31.26 64.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.962 0.41 . . . . 0.0 110.341 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -75.66 -2.64 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.746 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.93 -18.05 56.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.483 0.658 . . . . 0.0 109.35 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.2 mt -86.48 -30.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.719 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 -145.85 38.46 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.494 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -114.09 -76.28 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.5 m -144.21 68.02 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.28 31.04 5.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.023 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -89.74 -43.14 10.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.299 0.571 . . . . 0.0 109.562 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -91.18 140.53 29.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.097 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -88.19 87.76 7.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.415 0.626 . . . . 0.0 109.907 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.6 -37.55 74.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.981 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.32 -50.94 71.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.417 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -68.51 -40.86 80.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.347 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.66 -28.85 62.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -76.35 -43.9 38.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.85 -177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.7 tt -71.97 -35.39 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.136 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.663 177.397 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.7 m120 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.705 0.288 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.55 -118.46 11.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.531 177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.46 -29.42 46.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 110.228 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mm -86.81 89.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.41 0.624 . . . . 0.0 110.45 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 p -113.37 13.86 19.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.421 172.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -150.34 146.15 26.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.054 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.57 -113.01 1.11 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.755 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -62.5 -35.36 71.83 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 m -124.24 78.75 60.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.412 . . . . 0.0 111.137 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 13' ' ' PHE . 5.8 Cg_exo -75.55 119.89 5.68 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 123.157 2.571 . . . . 0.0 111.439 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -90.03 -42.94 10.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.114 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 20' ' ' GLY . . . -91.58 -25.23 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.132 0.492 . . . . 0.0 111.365 -177.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' PRO . 91.7 t80 -70.67 -27.87 64.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 10' ' ' PRO . 95.7 mtt180 -87.72 -11.06 49.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -100.83 -61.7 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.435 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 32.7 mt -101.67 -40.87 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.068 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.24 47.94 0.79 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.942 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 65.02 63.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.528 0.68 . . . . 0.0 110.331 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 t -170.89 44.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.911 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' O ' ' HB1' ' A' ' 12' ' ' ALA . . . 109.08 173.77 21.2 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.43 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -100.7 -48.7 4.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.41 . . . . 0.0 110.541 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -124.14 149.45 46.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.215 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.6 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 30.2 mtt180 -100.21 116.72 32.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.332 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.54 -37.07 79.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.402 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -63.53 -34.19 77.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.116 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.6 ' SG ' ' HD2' ' A' ' 23' ' ' ARG . 80.2 m -75.88 -17.18 59.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.612 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.7 t -74.98 -23.97 58.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -100.86 -57.27 2.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.456 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 pt -114.81 -43.97 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 59.2 ttt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.516 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.31 50.55 0.85 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.195 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.01 -60.51 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.641 0.258 . . . . 0.0 111.18 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 pt -139.42 99.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.219 0.533 . . . . 0.0 111.368 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 p -86.76 -14.55 42.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.183 0.516 . . . . 0.0 110.513 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -130.39 164.73 24.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.94 159.04 9.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.902 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.44 -29.51 69.07 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.176 2.584 . . . . 0.0 112.347 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.1 m -115.22 99.86 52.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.611 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.98 132.21 50.22 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.023 2.482 . . . . 0.0 112.572 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -70.59 -30.84 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.548 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -71.99 -40.23 68.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.523 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.56 -24.05 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.487 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -66.01 -29.17 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.278 0.561 . . . . 0.0 109.902 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.88 -26.27 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.888 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 12' ' ' ALA . 47.5 mm -72.19 -31.42 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.681 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.55 -133.63 11.94 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -112.24 24.81 12.17 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.482 0.658 . . . . 0.0 109.673 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -88.89 24.37 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.656 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.64 135.68 15.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.116 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -72.82 -30.57 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 110.074 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -134.05 138.27 45.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.692 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -100.15 121.71 41.84 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -70.08 -18.91 22.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.712 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.7 p -72.56 -18.19 61.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.4 t -96.31 1.15 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.312 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -86.54 -65.6 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.853 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.4 tt -146.37 83.44 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 122.016 0.912 . . . . 0.0 111.642 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.817 173.654 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.785 0.326 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.09 -146.0 16.13 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.59 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.47 63.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.628 0.252 . . . . 0.0 111.112 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 mt -79.94 88.98 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.226 0.536 . . . . 0.0 110.207 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.588 ' HG ' ' HZ ' ' A' ' 13' ' ' PHE . 17.1 t -107.19 -15.46 14.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.929 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -115.74 115.51 26.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.377 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 -153.19 29.87 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.22 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.54 -31.39 60.6 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.076 2.518 . . . . 0.0 112.815 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.8 t -149.01 89.69 4.87 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.394 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.78 118.16 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.456 2.104 . . . . 0.0 111.093 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -100.83 -41.46 6.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.06 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HZ ' ' HG ' ' A' ' 5' ' ' CYS . 60.9 m-85 -68.99 -20.6 64.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -78.54 -13.53 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 110.27 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -96.51 -35.86 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.926 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.37 -49.57 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.659 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.67 -170.24 42.13 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.652 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -110.46 144.06 39.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.3 p -77.8 -7.31 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.17 56.37 4.0 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.169 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -88.41 -21.26 24.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.521 0.676 . . . . 0.0 109.513 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -94.83 166.68 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.821 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -96.12 128.52 43.09 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.008 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.29 -18.31 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.039 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -58.41 -36.15 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.377 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.0 m -67.8 -30.04 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 m -86.93 -29.95 21.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -70.64 -30.7 67.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.06 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.7 pt -77.56 -7.63 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.909 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.122 177.312 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.76 -87.13 1.55 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.867 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -48.07 67.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm -98.29 105.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 52.5 t -76.79 -36.5 56.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.332 -175.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -81.27 122.83 27.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 -139.85 5.1 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.92 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.25 -36.67 27.35 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.627 2.218 . . . . 0.0 111.979 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 8.7 p -144.2 112.46 5.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.905 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.2 Cg_exo -70.6 120.74 7.33 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.653 2.236 . . . . 0.0 112.062 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 m -66.26 -35.35 80.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.247 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.93 59.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 10' ' ' PRO . 57.5 t80 -64.92 -19.57 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -64.99 -28.59 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.285 0.564 . . . . 0.0 110.005 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -91.07 -31.38 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.3 mt -70.84 -36.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.186 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.76 78.11 2.04 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.231 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -88.43 -28.61 20.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.026 0.441 . . . . 0.0 109.85 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.3 p -85.58 145.41 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.173 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.56 100.83 2.29 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.709 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -72.59 -28.83 63.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.307 0.575 . . . . 0.0 109.902 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -107.39 168.48 9.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.987 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -95.47 147.14 23.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.977 0.418 . . . . 0.0 110.364 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.75 -35.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.904 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.95 -41.46 96.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.23 -36.99 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.385 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.92 -21.73 59.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.962 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -85.38 -23.71 27.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.683 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 30' ' ' ARG . 7.9 tp -93.28 -50.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.673 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' N ' HG23 ' A' ' 29' ' ' ILE . 19.8 tpp180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.984 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.659 0.266 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.62 -138.71 5.19 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.294 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.38 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.84 110.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.41 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.69 6.14 49.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.361 0.601 . . . . 0.0 110.254 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.449 ' NE1' ' HB3' ' A' ' 10' ' ' PRO . 21.2 t90 -74.59 112.16 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.421 176.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.92 -129.97 2.64 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.603 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -62.2 -30.83 82.36 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.752 2.301 . . . . 0.0 112.313 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 p -124.7 96.48 40.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HB3' ' NE1' ' A' ' 6' ' ' TRP . 35.7 Cg_exo -60.99 119.14 6.13 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.11 2.54 . . . . 0.0 112.842 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 m -77.56 -39.77 44.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.088 0.47 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -56.09 -38.89 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.341 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.23 -31.12 72.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -87.14 -26.62 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.282 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 12' ' ' ALA . 62.7 mt -72.54 -55.13 14.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.703 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.183 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.02 116.98 1.52 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.6 t 59.42 36.95 23.32 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.345 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.55 54.57 10.06 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.406 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -66.27 -31.32 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 111.016 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.19 144.4 26.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.778 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -95.56 102.88 14.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.225 0.536 . . . . 0.0 110.975 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.31 -40.17 25.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.288 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -64.71 -28.17 69.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -62.34 -36.28 81.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.995 0.426 . . . . 0.0 110.698 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.32 -2.49 42.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -100.39 -46.1 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.1 0.476 . . . . 0.0 110.375 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -112.64 121.41 64.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.336 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.293 178.198 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.516 0.198 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.1 -80.25 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.371 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.95 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 0.0 110.313 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.5 mm -102.67 108.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.686 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.7 m -103.32 14.86 30.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.268 0.556 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -99.48 125.83 45.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.912 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.18 -146.43 4.48 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.94 -22.18 68.57 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.736 2.291 . . . . 0.0 111.818 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -142.84 84.22 10.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.702 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.51 118.52 5.41 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.78 2.32 . . . . 0.0 112.089 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -89.52 -40.9 12.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.399 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 16' ' ' ILE . . . -66.35 -45.24 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.93 -37.21 81.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -81.15 -26.23 36.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.383 . . . . 0.0 110.539 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.41 -32.97 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 0.0 110.253 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 12' ' ' ALA . 68.3 mt -63.16 -35.49 72.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.565 174.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.95 98.74 0.99 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 172.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -81.99 179.47 7.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.821 0.343 . . . . 0.0 111.508 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 p -62.64 -59.25 5.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.195 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.77 142.3 7.51 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.778 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.57 -24.54 36.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.453 0.644 . . . . 0.0 110.029 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -101.85 -160.31 0.78 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.697 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.09 113.97 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 0.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.57 -25.8 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.138 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -59.9 -32.86 71.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.224 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.64 -20.44 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -85.71 -14.88 44.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.357 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -100.16 -49.23 4.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.458 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 pt -94.87 159.0 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.788 0.328 . . . . 0.0 110.815 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.077 178.654 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.035 0.445 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.75 91.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.111 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.05 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.86 0.362 . . . . 0.0 110.768 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.3 pt -132.16 125.84 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.125 0.488 . . . . 0.0 111.019 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.8 m -110.22 14.63 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.333 0.587 . . . . 0.0 110.358 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -101.77 36.4 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.3 -178.02 49.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.608 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.02 -32.71 43.69 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.571 2.18 . . . . 0.0 111.601 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -157.5 107.45 1.83 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.463 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.98 120.42 5.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.058 2.505 . . . . 0.0 112.114 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.445 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 15.1 m -89.89 -21.08 22.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 111.666 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -71.9 -34.53 69.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.718 0.294 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HE ' ' HA ' ' A' ' 11' ' ' THR . 62.5 mtm180 -68.53 -25.8 65.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.369 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -72.49 -30.65 64.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.826 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -75.52 -42.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.109 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.93 -56.06 4.93 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 64.4 -87.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.527 0.731 . . . . 0.0 111.511 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 p -67.74 -31.38 71.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 0.0 110.649 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.38 20.13 48.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.261 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -92.94 -27.98 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -101.66 149.07 24.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.175 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -71.86 148.08 46.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.326 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 24' ' ' VAL . 14.3 t -74.41 -0.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.992 -170.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 54.9 mtp180 -59.13 -37.56 77.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.199 -0.313 . . . . 0.0 111.481 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -76.76 -9.18 58.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.896 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 t -94.22 -0.64 55.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.2 ptm180 -69.18 -30.68 68.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.226 0.536 . . . . 0.0 109.932 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.2 mt -80.93 -53.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.478 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.376 178.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.31 -12.65 57.09 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.771 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.91 -10.45 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.98 0.419 . . . . 0.0 110.836 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.6 tp -89.28 118.2 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.607 0.717 . . . . 0.0 110.562 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.2 m -83.97 -15.87 46.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.617 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -116.22 36.82 3.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.298 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.24 -162.61 11.88 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.249 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -61.98 -29.16 81.51 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.886 2.391 . . . . 0.0 111.997 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 m -59.87 131.81 89.16 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.978 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.03 118.59 4.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.095 2.53 . . . . 0.0 112.337 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 13.5 t -88.07 -20.08 26.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -174.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 -47.43 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -64.24 -38.47 91.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.176 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -87.33 -45.5 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.78 -56.27 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.254 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.01 114.71 0.35 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.145 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -159.36 -67.07 0.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 t -164.76 44.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.84 50.21 0.82 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.174 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.544 ' HA ' ' HE ' ' A' ' 21' ' ' ARG . 1.2 mmp_? -104.17 -6.75 20.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 109.861 173.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.34 -175.52 4.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.368 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -75.84 124.21 26.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -62.71 -13.9 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.201 -172.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -57.64 -35.59 70.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -69.33 -39.63 78.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.848 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.74 -26.59 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.171 0.51 . . . . 0.0 110.204 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -78.27 -35.34 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.071 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 30' ' ' ARG . 10.3 tp -83.72 -28.01 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.033 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG3' HG23 ' A' ' 29' ' ' ILE . 62.7 mtm180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.463 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.676 0.274 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.3 -110.58 3.43 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.421 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.7 57.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -92.05 98.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.096 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.4 t -97.0 -18.29 19.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.317 0.58 . . . . 0.0 110.0 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -115.15 122.42 46.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.738 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.64 174.09 22.42 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.164 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.0 -31.16 93.13 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.032 2.488 . . . . 0.0 112.899 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.6 m -126.72 84.27 63.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.558 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.52 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 5.7 Cg_exo -77.36 126.04 8.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.033 2.489 . . . . 0.0 111.631 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -61.92 -34.12 75.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.986 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.59 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.045 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -77.39 -36.52 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 10' ' ' PRO . 62.8 mtp180 -66.83 -24.55 66.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 0.0 110.489 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.78 -30.32 69.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.7 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -87.16 -43.59 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.052 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.71 -130.22 1.75 Allowed Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.912 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -90.72 122.65 33.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.44 0.638 . . . . 0.0 109.867 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.6 m -86.8 67.6 9.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.995 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 51.93 2.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -122.1 3.28 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.995 0.426 . . . . 0.0 110.893 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -122.2 160.1 25.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 18.4 tpt180 -87.66 125.76 34.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.6 t -62.39 -23.2 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.216 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.6 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 23' ' ' ARG . 57.8 m -69.37 -25.14 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.323 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.49 -16.92 61.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.328 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -86.56 -33.64 20.18 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.56 -55.6 17.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.571 179.455 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.92 62.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.898 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.93 49.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 0.0 110.557 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.6 mt -81.45 89.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.932 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -115.89 1.81 13.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.876 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . 81.2 m95 -109.9 48.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.952 0.406 . . . . 0.0 110.557 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.75 -168.01 41.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.92 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.54 -49.03 2.66 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.679 2.253 . . . . 0.0 111.939 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -119.62 94.65 48.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HB3' ' HB2' ' A' ' 6' ' ' TRP . 89.3 Cg_exo -50.47 118.7 4.27 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.392 2.728 . . . . 0.0 112.909 -176.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 35.5 m -66.24 -33.92 76.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.139 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.07 84.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.959 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -77.45 -27.51 52.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.482 . . . . 0.0 110.731 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -87.6 -6.14 58.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.557 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 11' ' ' THR . 30.6 tt0 -95.7 15.54 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.688 . . . . 0.0 109.913 -177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.72 -45.45 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.008 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.83 99.69 1.16 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.514 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -75.28 -66.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.722 0.296 . . . . 0.0 111.436 -176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.24 153.85 51.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.457 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 8.05 68.53 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.894 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.51 -38.87 59.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -125.2 146.91 49.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.586 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.557 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 24.3 mmt180 -100.34 144.2 29.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.018 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.86 -40.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -61.13 -29.77 69.97 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.714 -176.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 8.9 p -66.74 -43.08 85.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.89 -14.25 62.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.107 0.48 . . . . 0.0 110.767 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -86.99 -28.19 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.688 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 pt -102.67 -23.73 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.053 178.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.765 0.317 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.62 27.63 29.12 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.168 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.12 23.83 9.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 pt -76.77 130.42 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.384 0.612 . . . . 0.0 110.803 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.38 -14.11 17.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.871 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -119.5 135.54 54.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.836 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.88 -165.11 30.13 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.52 -40.02 78.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.629 2.22 . . . . 0.0 111.327 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -147.78 113.65 3.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.303 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.88 117.62 4.28 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.201 1.934 . . . . 0.0 111.332 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 m -86.32 -22.78 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.241 0.543 . . . . 0.0 110.661 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.3 -8.13 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.307 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -62.37 -44.53 96.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.31 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 18' ' ' ASN . 79.8 mtm180 -86.08 7.68 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.05 0.453 . . . . 0.0 110.714 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -100.07 -44.37 6.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -73.67 -42.17 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.02 12.07 58.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.28 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 59.4 t30 -77.4 130.16 36.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' HG ' ' HE2' ' A' ' 22' ' ' PHE . 13.6 t -74.28 81.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 110.778 -176.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.72 31.03 3.63 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -80.11 -24.73 40.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.221 0.534 . . . . 0.0 110.135 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.499 ' HE2' ' HG ' ' A' ' 19' ' ' CYS . 46.5 p90 -90.41 163.07 14.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.327 176.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 10.7 mmp_? -81.84 101.41 10.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 110.626 -175.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.68 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 22.8 t -65.57 -24.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.813 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -58.58 -30.19 66.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.8 t -81.97 -50.18 9.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 24' ' ' VAL . 4.8 p -72.63 -35.06 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.632 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 14.6 tpt180 -85.15 -20.26 30.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.454 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 81.3 mt 75.44 -51.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.227 0.611 . . . . 0.0 111.291 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 C--O 1.25 1.098 0 O-C-N 123.675 0.609 . . . . 0.0 110.481 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.551 0.215 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.35 164.83 13.25 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.43 91.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.123 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.6 pt -81.01 152.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.434 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.9 m -96.58 15.17 22.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.79 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -138.46 179.53 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.077 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.68 -152.81 7.33 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.34 -22.38 66.26 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.857 2.372 . . . . 0.0 111.926 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -134.47 91.15 22.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.776 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 123.99 15.15 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 112.248 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -68.03 -30.5 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -66.1 -29.73 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -67.42 -37.63 83.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.833 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -79.04 -25.06 43.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.354 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.32 -29.66 70.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.499 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 12' ' ' ALA . 50.8 mm -67.85 -33.84 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.248 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.36 76.65 2.22 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.553 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -75.14 -55.72 5.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.708 0.289 . . . . 0.0 111.477 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -142.89 152.9 42.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.755 0.312 . . . . 0.0 110.529 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.35 -40.35 2.51 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.796 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -75.4 -11.61 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -87.56 158.67 18.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.8 mmp_? -100.92 139.25 36.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.896 0.379 . . . . 0.0 110.347 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.46 -2.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.908 -175.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -81.38 -12.11 59.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.262 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -64.69 -19.45 65.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.635 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.1 p -63.43 -25.37 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.758 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.96 -16.07 42.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 110.351 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.28 -47.35 13.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.447 -179.581 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.338 0.125 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.81 -179.34 41.2 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.447 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.17 28.63 4.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 110.845 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.6 pt -88.11 99.38 8.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.4 m -73.91 -21.35 60.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.743 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -80.5 -23.6 40.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 0.0 109.71 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.35 166.17 36.56 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.634 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.85 -43.02 10.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.749 2.3 . . . . 0.0 111.545 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.2 m -139.99 89.63 11.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.324 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.01 144.29 99.52 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.095 2.53 . . . . 0.0 112.542 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -110.16 5.45 21.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.526 0.679 . . . . 0.0 109.876 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.49 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.925 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -73.51 -27.69 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.653 0.263 . . . . 0.0 110.81 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -67.98 -28.95 67.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.22 -16.12 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.5 mt -96.9 -38.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.138 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.85 72.2 2.61 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.16 -177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -165.65 169.0 15.75 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.0 m -117.36 63.47 0.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.226 0.536 . . . . 0.0 110.81 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.97 49.21 55.92 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.386 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -79.85 -27.86 40.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.042 0.448 . . . . 0.0 110.563 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -133.13 174.55 10.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.008 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.484 ' H ' ' HD2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.78 114.11 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.574 0.702 . . . . 0.0 111.243 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 42.8 t -88.16 -19.69 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.174 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -53.06 -38.72 62.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.331 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -69.01 -37.15 78.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m -77.31 -4.85 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 96.8 mtt180 -86.67 -31.62 20.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.368 177.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 tt -99.25 -38.03 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.747 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.945 178.186 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.27 37.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.147 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.13 63.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 0.0 111.07 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.95 89.23 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.161 0.505 . . . . 0.0 110.017 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.8 m -72.59 -37.44 68.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.833 177.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -140.06 -51.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.861 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.33 -147.14 11.4 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.996 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.01 -34.09 39.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.732 2.288 . . . . 0.0 112.044 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.5 t -109.32 117.74 52.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.199 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.59 142.29 95.57 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.628 2.219 . . . . 0.0 111.852 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 m -59.9 -38.85 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.225 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.879 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.3 -42.48 88.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.011 -176.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.58 -19.25 60.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.716 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -84.12 -38.63 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.405 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mm -70.67 -32.62 49.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.98 83.99 0.17 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -179.23 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 m -63.22 106.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.661 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.57 7.31 45.63 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -85.78 -38.04 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.902 0.382 . . . . 0.0 110.637 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -105.26 165.27 11.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.331 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -100.37 99.43 10.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.08 0.466 . . . . 0.0 110.608 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -69.59 -18.7 22.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.777 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -60.83 -46.84 88.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.3 p -81.35 -15.18 56.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.004 0.431 . . . . 0.0 110.492 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 t -75.6 -26.18 57.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.756 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -82.09 -22.08 36.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -73.38 122.76 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.563 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.276 179.169 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 17.5 m120 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.89 -66.39 2.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.769 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.16 -46.11 10.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.682 0.277 . . . . 0.0 111.438 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 1' ' ' ASN . 30.0 pt -116.57 155.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.107 0.479 . . . . 0.0 111.336 -175.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.2 p -105.54 -11.46 16.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.154 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -151.61 163.37 39.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.088 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.87 -116.6 0.67 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.403 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.489 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 45.2 Cg_exo -58.05 -25.66 71.71 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.45 2.1 . . . . 0.0 110.802 172.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.7 m -94.47 101.8 7.42 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.029 172.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 8' ' ' PRO . 14.7 Cg_exo -69.43 123.52 10.29 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.859 2.373 . . . . 0.0 112.053 -177.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -99.26 -40.67 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.943 0.402 . . . . 0.0 110.703 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -73.59 -43.86 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.312 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.02 -31.96 72.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -68.96 -31.23 69.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.223 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -74.99 -28.75 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.987 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 12' ' ' ALA . 46.7 mm -72.03 -45.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.138 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.55 -69.2 1.42 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.139 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 66.95 -73.77 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.633 0.773 . . . . 0.0 111.612 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.1 m -98.12 26.29 5.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.295 0.569 . . . . 0.0 110.368 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.55 99.34 0.38 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.38 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -85.07 6.93 23.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.687 0.756 . . . . 0.0 109.9 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -132.91 -178.19 4.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.349 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -79.89 115.7 19.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.59 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.047 -175.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -56.95 -40.62 76.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.054 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.98 -29.28 70.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.993 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -92.76 -23.64 18.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -177.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -94.61 -54.06 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.813 0.339 . . . . 0.0 111.539 -176.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.37 82.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.499 0.666 . . . . 0.0 110.606 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.813 176.106 . . . . . . . . 0 0 . 1 stop_ save_